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Professor Jamshed Anwar

Professor, Chair in Computational Chemistry & Head of Chemical Theory and Computation Research Group

  1. 2023
  2. Published

    Prediction of aqueous solubility of a strongly soluble solute from molecular simulation

    Carruthers, J., Ferrario, M. & Anwar, J., 28/07/2023, In: Journal of Chemical Physics. 159, 4, 044114.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  3. Published

    Interaction of gentamicin and gentamicin-AOT with poly-(lactide-co-glycolate) in a drug delivery system - density functional theory calculations and molecular dynamics simulation

    Duran, S., Anwar, J. & Moin, S. T., 31/03/2023, In: Biophysical chemistry. 294, 11 p., 106958.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  4. 2022
  5. Published

    Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field

    D’Amore, L., Hahn, D. F., Dotson, D. L., Horton, J. T., Anwar, J., Craig, I., Fox, T., Gobbi, A., Lakkaraju, S. K., Lucas, X., Meier, K., Mobley, D. L., Narayanan, A., Schindler, C. E. M., Swope, W. C., in ’t Veld, P. J., Wagner, J., Xue, B. & Tresadern, G., 12/12/2022, In: Journal of Chemical Information and Modeling. 62, 23, p. 6094-6104 11 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  6. Published

    Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale

    Horton, J. T., Boothroyd, S., Wagner, J., Mitchell, J. A., Gokey, T., Dotson, D. L., Behara, P. K., Ramaswamy, V. K., Mackey, M., Chodera, J. D., Anwar, J., Mobley, D. L. & Cole, D. J., 28/11/2022, In: Journal of Chemical Information and Modeling. 62, 22, p. 5622-5633 12 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  7. Published

    Toward the Noninvasive Diagnosis of Alzheimer’s Disease: Molecular Basis for the Specificity of Curcumin for Fibrillar Amyloid-β

    Khurshid, B., Rehman, A. U., Muhammad, S., Wadood, A. & Anwar, J., 28/06/2022, In: ACS Omega. 7, 25, p. 22032-22038 7 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  8. Published

    Heparin-Assisted Amyloidogenesis Uncovered through Molecular Dynamics Simulations

    Khurshid, B., Rehman, A. U., Luo, R., Khan, A., Wadood, A. & Anwar, J., 3/05/2022, In: ACS Omega. 7, 17, p. 15132-15144 13 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  9. Published

    Investigating effect of mutation on structure and function of G6PD enzyme: a comparative molecular dynamics simulation study

    Rani, S., Malik, F. P., Anwar, J. & Zafar Paracha, R., 29/03/2022, In: Peerj. 10, 32 p., e12984.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  10. Published

    Investigations on Anticancer Potentials by DNA Binding and Cytotoxicity Studies for Newly Synthesized and Characterized Imidazolidine and Thiazolidine-Based Isatin Derivatives

    Arshad, N., Mir, M. I., Perveen, F., Javed, A., Javaid, M., Saeed, A., Channar, P. A., Farooqi, S. I., Alkahtani, S. & Anwar, J., 6/01/2022, In: Molecules. 27, 2, 25 p., e354.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  11. 2021
  12. Published

    Quantum chemistry common driver and databases (qcdb) and quantum chemistry engine (qce ngine): Automation and interoperability among computational chemistry programs

    Smith, D. G. A., Lolinco, A. T., Glick, Z. L., Lee, J., Alenaizan, A., Barnes, T. A., Borca, C. H., Di Remigio, R., Dotson, D. L., Ehlert, S., Heide, A. G., Herbst, M. F., Hermann, J., Hicks, C. B., Horton, J. T., Hurtado, A. G., Kraus, P., Kruse, H., Lee, S. J. R. & Misiewicz, J. P. & 28 others, Naden, L. N., Ramezanghorbani, F., Scheurer, M., Schriber, J. B., Simmonett, A. C., Steinmetzer, J., Wagner, J. R., Ward, L., Welborn, M., Altarawy, D., Anwar, J., Chodera, J. D., Dreuw, A., Kulik, H. J., Liu, F., Martínez, T. J., Matthews, D. A., Schaefer H.F., I., Šponer, J., Turney, J. M., Wang, L.-P., De Silva, N., King, R. A., Stanton, J. F., Gordon, M. S., Windus, T. L., Sherrill, C. D. & Burns, L. A., 28/11/2021, In: Journal of Chemical Physics. 155, 20, 22 p., 204801.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  13. Published

    Contemporary systematics of vadose zone nitrate capture by speleothem carbonate

    Wynn, P. M., Ambler, S., Grefe, I., Soto, D. X., Surridge, B. W. J., Gabitov, R. I., Barker, P. A., Anwar, J., Quin, A., Pereira, M. G. & Grant, H. K., 20/06/2021, In: Chemical Geology. 571, 14 p., 120172.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  14. Published

    Free energies of crystals computed using Einstein crystal with fixed center of mass and differing spring constants

    Khanna, V., Anwar, J., Frenkel, D., Doherty, M. F. & Peters, B., 28/04/2021, In: Journal of Chemical Physics. 154, 16, 8 p., 164509.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  15. 2020
  16. Published

    Solid-solid phase equilibria in the NaCl-KCl system

    Anwar, J., Leitold, C. & Peters, B., 14/04/2020, In: Journal of Chemical Physics. 152, 14, 10 p., 144109.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  17. 2019
  18. E-pub ahead of print

    Solubility prediction for a soluble organic molecule via chemical potentials from density of states

    Boothroyd, S. & Anwar, J., 14/11/2019, (E-pub ahead of print) In: Journal of Chemical Physics. 151, 11 p., 184113.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  19. Published

    CD-MOFs Crystal Transformation from Dense to Highly Porous Form for Efficient Drug Loading

    Ding, H., Wu, L., Guo, T., Zhang, Z., Garba, B. M., Gao, G., He, S., Zhang, W., Chen, Y., Lin, Y., Liu, H., Anwar, J. & Zhang, J., 3/07/2019, In: Crystal Growth and Design. 19, 7, p. 3888-3894 7 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  20. 2018
  21. Published

    Solubility prediction from first principles: a density of states approach

    Boothroyd, S., Kerridge, A., Broo, A., Buttar, D. & Anwar, J., 28/08/2018, In: Physical Chemistry Chemical Physics. 20, 32, p. 20981-20987 7 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  22. Published

    Why Do Some Molecules Form Hydrates or Solvates?

    Boothroyd, S., Kerridge, A., Broo, A., Buttar, D. & Anwar, J., 7/03/2018, In: Crystal Growth and Design. 18, 3, p. 1903-1908 7 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  23. Published

    Synthesis and characterization of biodegradable hydrogels for oral delivery of 5-fluorouracil targeted to colon: screening with preliminary in vivo studies

    Minhas, M. U., Ahmad, M., Anwar, J. & Khan, S., 02/2018, In: Advances in Polymer Technology. 37, 1, p. 221-229 9 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  24. 2017
  25. Published

    The mutual interactions of the extracellular domains of tight junction proteins

    Fitsiou, E., Anwar, J. & Noro, M. G., 16/10/2017.

    Research output: Contribution to conference - Without ISBN/ISSN Speech

  26. Published

    Directing self-assembly to grow adaptive physical structures

    Blaney, A., Dunn, N. S., Alexander, J. M., Richards, D., Rennie, A. E. W. & Anwar, J., 8/02/2017, In: International Journal of Rapid Manufacturing. 6, 2-3, p. 114-133 20 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  27. Published

    Polymorphic Phase Transitions: Macroscopic Theory and Molecular Simulation

    Anwar, J. & Zahn, D., 2017, In: Advanced Drug Delivery Reviews. 117, p. 47-70 24 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  28. 2016
  29. Published

    Partitioning into colloidal structures of fasted state intestinal fluid studied by molecular dynamics simulations

    Holmboe, M., Larsson, P., Anwar, J. & Bergstrom, C. A. S., 6/12/2016, In: Langmuir. 32, 48, p. 12732-12740 9 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  30. Published

    Coupling self-assembling materials with digital designs to grow adaptive structures

    Blaney, A., Alexander, J., Dunn, N., Richards, D., Doursat, R., Rennie, A. & Anwar, J., 2016.

    Research output: Contribution to conference - Without ISBN/ISSN Conference paperpeer-review

  31. 2015
  32. Published

    Secondary crystal nucleation: nuclei breeding factory uncovered

    Anwar, J., Khan, S. & Lindfors, L., 1/12/2015, In: Angewandte Chemie International Edition. 54, 49, p. 14681-14684 4 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  33. Published

    Adaptive materials: utilising additive manufactured scaffolds to control self-organising material aggregation

    Blaney, A., Alexander, J. M., Dunn, N. S., Richards, D. C., Rennie, A. E. W. & Anwar, J., 12/2015, Proceedings of the 14th Rapid Design, Prototyping and Manufacturing Conference. Rennie, A. & Bibb, R. (eds.). Loughborough: Lancaster University, p. 49-57 8 p.

    Research output: Contribution in Book/Report/Proceedings - With ISBN/ISSNConference contribution/Paperpeer-review

  34. Published

    Two-step nucleation rather than self-poisoning: an unexpected mechanism of asymmetrical molecular crystal growth

    Ectors, P., Anwar, J. & Zahn, D., 7/10/2015, In: Crystal Growth and Design. 15, 10, p. 5118-5123 6 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  35. Published

    The Molecular Mechanism of α-Resorcinol's Asymmetric Crystal Growth from the Melt

    Ectors, P., Sae-Tang, W., Chatchawalsaisin, J., Zahn, D. & Anwar, J., 5/08/2015, In: Crystal Growth and Design. 15, 8, p. 4026-4031 6 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  36. Published

    Conceptual, self-assembling graphene nanocontainers

    Boothroyd, S. & Anwar, J., 30/06/2015, In: Nanoscale. 5 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  37. Published

    A proposal for a drug product Manufacturing Classification System (MCS) for oral solid dosage forms

    Leane, M., Pitt, K., Reynolds, G. & Anwar, J., 01/2015, In: Pharmaceutical Development and Technology. 20, 1, p. 12-21 10 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  38. Published

    Adaptive Materials: Utilising additive manufactured scaffolds to control self-organising material aggregation

    Blaney, A., Alexander, J., Dunn, N., Richards, D., Rennie, A. & Anwar, J., 2015.

    Research output: Contribution to conference - Without ISBN/ISSN Conference paperpeer-review

  39. Published

    Molecular self-assembly and clustering in nucleation processes: general discussion

    Price, S., Veesler, S., Pan, H., Lewtas, K., Smets, M., Rimez, B., Myerson, A., Hughes, C., Hare, A., Zhang, F., Meekes, H., Mazzotti, M., Rosbottom, I., Khamar, D., van den Ende, J., Fabian, L., Black, S., Taulelle, F., Gich, M. & Vekilov, P. & 19 others, Toroz, D., Bertran, C. A., Sefcik, J., Schroeder, S., Booth, S., Rasmuson, A., Breynaert, E., Simone, E., Hammond, R., Sear, R., de Yoreo, J., Davey, R., Anwar, J., Ristic, R., Camacho Corzo, D. M., Roberts, K., Harris, K., Colfen, H. & Turner, T., 2015, In: Faraday Discussions. 179, p. 155-97 43 p.

    Research output: Contribution to Journal/MagazineJournal article

  40. Published

    Solvent and additive interactions as determinants in the nucleation pathway: general discussion

    Sun, C. C., Sun, W., Price, S., Hughes, C., Ter Horst, J., Veesler, S., Lewtas, K., Myerson, A., Pan, H., Coquerel, G., van den Ende, J., Meekes, H., Mazzotti, M., Rosbottom, I., Taulelle, F., Black, S., Mackenzie, A., Janbon, S., Vekilov, P. & Threlfall, T. & 26 others, Turner, T., Back, K., Cuppen, H., Toroz, D., Sefcik, J., Lovelock, J., Hammond, R., Candoni, N., Simone, E., Ward, M., Bertran, C. A., Vetter, T., Sear, R., De Yoreo, J., Davey, R., Anwar, J., Santiso, E., Wu, D. T., Roberts, K., Peters, B., Schroeder, S., Jones, F., Rasmuson, A., Cölfen, H., Zeglinski, J. & Salvalaglio, M., 2015, In: Faraday Discussions. 179, p. 383-420 38 p.

    Research output: Contribution to Journal/MagazineJournal article

  41. 2014
  42. Published

    Towards a simplified model membrane of skin lipids: preparation and characterisation of a ternary lipid mixture

    Ghonaim, H. M., Periasamy, N., Noro, M. G. & Anwar, J., 04/2014, In: International Journal of Pharmacy and Pharmaceutical Sciences. 6, 2, p. 148-152

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  43. Published

    Nanocrystal recovery by use of carrier particles

    Khan, S., de Matas, M., Plakkot, S. & Anwar, J., 03/2014, In: Crystal Growth and Design. 14, 3, p. 1003-1009 7 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  44. Published

    Effect of natural sunflower oil and its components on the skin permeability to water and some drugs

    Ghonaim, H. M., Noro, M. G. & Anwar, J., 2014, In: International Journal of Pharmacy and Pharmaceutical Sciences. 6, Supplement 1, p. 630-636 7 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  45. 2013
  46. Published

    Nanocrystal preparation: low-energy precipitation method revisited

    Khan, S., de Matas, M., Jiwen, Z. & Anwar, J., 2/05/2013, In: Crystal Growth and Design. 13, 7, p. 2766-2777 12 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  47. Published

    Nanofiber-based delivery of therapeutic peptides to the brain

    Mazza, M., Notman, R., Anwar, J., Rodger, A., Hicks, M., Parkinson, G., McCarthy, D., Daviter, T., Moger, J., Garrett, N., Mead, T., Briggs, M., Schätzlein, A. G. & Uchegbu, I. F., 26/02/2013, In: ACS Nano. 7, 2, p. 1016-26 11 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  48. Published

    Breaching the skin barrier - Insights from molecular simulation of model membranes

    Notman, R. & Anwar, J., 02/2013, In: Advanced Drug Delivery Reviews. 65, 2, p. 237-250 14 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  49. Published

    Collective displacements in a molecular crystal polymorphic transformation

    Zahn, D. & Anwar, J., 2013, In: RSC Advances. 31, p. 12810-12815 6 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  50. 2012
  51. Published

    The Human Skin Barrier Is Organized as Stacked Bilayers of Fully Extended Ceramides with Cholesterol Molecules Associated with the Ceramide Sphingoid Moiety

    Iwai, I., Han, H., den Hollander, L., Svensson, S., Oefverstedt, L.-G., Anwar, J., Brewer, J., Bloksgaard, M., Laloeuf, A., Nosek, D., Masich, S., Bagatolli, L. A., Skoglund, U. & Norlen, L., 09/2012, In: Journal of Investigative Dermatology. 132, 9, p. 2215-2225 11 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  52. Published

    Effect of oils and their components on the water permeability of the skin

    Ghonaim, H. M., Noro, M. G. & Anwar, J., 08/2012, In: International Journal of Cosmetic Science. 34, 4, p. 369-369 1 p.

    Research output: Contribution to Journal/MagazineMeeting abstractpeer-review

  53. Published

    Preparation and characterisation of a simple 3-component model skin membrane

    Ghonaim, H. M., Periasamy, N., Noro, M. G. & Anwar, J., 08/2012, In: International Journal of Cosmetic Science. 34, 4, p. 369-369 1 p.

    Research output: Contribution to Journal/MagazineMeeting abstractpeer-review

  54. Published

    Ice I-h-water interfacial free energy of simple water models with full electrostatic interactions

    Davidchack, R. L., Handal, R., Anwar, J. & Brukhno, A. V., 07/2012, In: Journal of Chemical Theory and Computation. 8, 7, p. 2383-2390 8 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  55. Published

    Structure of ice crystallized from supercooled water

    Malkin, T. L., Murray, B. J., Brukhno, A. V., Anwar, J. & Salzmann, C. G., 6/03/2012, In: Proceedings of the National Academy of Sciences of the United States of America. 109, 10, p. 4021-4021 1 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  56. Published

    Structure of ice crystallized from supercooled water

    Malkin, T. L., Murray, B. J., Brukhno, A. V., Anwar, J. & Salzmann, C. G., 24/01/2012, In: Proceedings of the National Academy of Sciences of the United States of America. 109, 4, p. 1041-1045 5 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  57. Published

    Prediction of the Mechanical Behaviour of Crystalline Solids

    Shariare, M. H., Leusen, F. J. J., de Matas, M., York, P. & Anwar, J., 01/2012, In: Pharmaceutical Research. 29, 1, p. 319-331 13 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  58. 2011
  59. Published

    Size-Dependent Phase Stability of a Molecular Nanocrystal: a Proxy for Investigating the Early Stages of Crystallization

    Zahn, D. & Anwar, J., 09/2011, In: Chemistry - A European Journal. 17, 40, p. 11186-11192 7 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  60. Published

    Homogeneous ice formation from supercooled water: Insights from simulations and experiments

    Brukhno, A. V., Anwar, J., Malkin, T., Murray, B. & Salzmann, C. G., 28/08/2011, In: Abstracts of Papers of the American Chemical Society. 242, 1 p.

    Research output: Contribution to Journal/MagazineMeeting abstractpeer-review

  61. Published

    Molecular dynamics simulation of a polysorbate 80 micelle in water

    Amani, A., York, P., de Waard, H. & Anwar, J., 2011, In: Soft Matter. 7, 6, p. 2900-2908 9 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  62. Published

    Uncovering molecular processes in crystal nucleation and growth by using molecular simulation

    Anwar, J. & Zahn, D., 2011, In: Angewandte Chemie International Edition. 50, 9, p. 1996-2013 18 p.

    Research output: Contribution to Journal/MagazineLiterature reviewpeer-review

  63. 2010
  64. Published

    A Low-Energy Method for Preparing Stable Nanocrystals of Drug Molecules

    Khan, S., de Matas, M. & Anwar, J., 10/2010, In: Journal of Pharmacy and Pharmacology. 62, 10, p. 1395-1396 2 p.

    Research output: Contribution to Journal/MagazineMeeting abstractpeer-review

  65. Published

    Defect-mediated trafficking across cell membranes: insights from in silico modeling

    Gurtovenko, A. A., Anwar, J. & Vattulainen, I., 10/2010, In: Chemical Society Reviews. 110, 10, p. 6077-6103 27 p.

    Research output: Contribution to Journal/MagazineLiterature reviewpeer-review

  66. Published

    Evaluation and optimization of a force field for crystalline forms of mannitol and sorbitol

    de Waard, H., Amani, A., Kendrick, J., Hinrichs, W. L. J., Frijlink, H. W. & Anwar, J., 14/01/2010, In: Journal of Physical Chemistry B. 114, 1, p. 429-436 8 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  67. 2009
  68. Published

    Interaction of ethanol with biological membranes: the formation of non-bilayer structures within the membrane interior and their significance

    Gurtovenko, A. A. & Anwar, J., 19/02/2009, In: Journal of Physical Chemistry B. 113, 7, p. 1983-1992 10 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  69. Published

    Mode of action and design rules for additives that modulate crystal nucleation

    Anwar, J., Boateng, P. K., Tamaki, R. & Odedra, S., 2009, In: Angewandte Chemie International Edition. 48, 9, p. 1596-1600 5 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  70. 2008
  71. Published

    Challenges in molecular simulation of homogeneous ice nucleation

    Brukhno, A. V., Anwar, J., Davidchack, R. & Handel, R., 10/12/2008, In: Journal of Physics: Condensed Matter. 20, 49, 17 p., 494243.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  72. Published

    Simulations of skin barrier function: free energies of hydrophobic and hydrophilic transmembrane pores in ceramide bilayers

    Notman, R., Anwar, J., Briels, W. J., Noro, M. G. & den Otter, W. K., 15/11/2008, In: Biophysical Journal. 95, 10, p. 4763-4771 9 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  73. Published

    Chemically induced phospholipid translocation across biological membranes

    Gurtovenko, A. A., Onike, O. I. & Anwar, J., 2/09/2008, In: Langmuir. 24, 17, p. 9656-9660 5 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  74. Published

    Modulating the skin barrier function by DMSO: molecular dynamics simulations of hydrophilic and hydrophobic transmembrane pores

    den Otter, W. K., Notman, R., Anwar, J., Noro, M. G. & Briels, W. J., 08/2008, In: Chemistry and Physics of Lipids. 154, Supplement, p. S2-S3 2 p.

    Research output: Contribution to Journal/MagazineMeeting abstractpeer-review

  75. Published

    Control of crystal nucleation: Insights from molecular simulation

    Anwar, J., Boateng, P. K., Tamaki, R. & Odedra, S., 9/06/2008, In: European Journal of Pharmaceutical Sciences. 34, 1 Suppl. 9, p. S11-S11 1 p.

    Research output: Contribution to Journal/MagazineMeeting abstractpeer-review

  76. Published

    Direct calculation of solid-liquid interfacial free energy for molecular systems: TIP4P ice-water interface

    Handel, R., Davidchack, R. L., Anwar, J. & Brukhno, A., 25/01/2008, In: Physical review letters. 100, 3, 4 p., 036104.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  77. Published

    An optimized force field for crystalline phases of resorcinol

    Chatchawalsaisin, J., Kendrick, J., Tuble, S. C. & Anwar, J., 2008, In: CrystEngComm. 10, 4, p. 437-445 9 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  78. 2007
  79. Published

    Ion transport through chemically induced pores in protein-free phospholipid membranes

    Gurtovenko, A. A. & Anwar, J., 29/11/2007, In: Journal of Physical Chemistry B. 111, 47, p. 13379-13382 4 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  80. Published

    Interaction of oleic acid with dipalmitoylphosphatidylcholine (DPPC) bilayers simulated by molecular dynamics

    Notman, R., Noro, M. G. & Anwar, J., 8/11/2007, In: Journal of Physical Chemistry B. 111, 44, p. 12748-12755 8 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  81. Published

    Modulating the structure and properties of cell membranes: the molecular mechanism of action of dimethyl sulfoxide

    Gurtovenko, A. A. & Anwar, J., 6/09/2007, In: Journal of Physical Chemistry B. 111, 35, p. 10453-10460 8 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  82. Published

    The permeability enhancing mechanism of DMSO in ceramide Bilayers simulated by molecular dynamics

    Notman, R., den Otter, W. K., Noro, M. G., Briels, W. J. & Anwar, J., 09/2007, In: Biophysical Journal. 93, 6, p. 2056-2068 13 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  83. Published

    Concerted molecular displacements in a thermally-induced solid-state transformation in crystals of DL-norleucine

    Anwar, J., Tuble, S. C. & Kendrick, J., 7/03/2007, In: Journal of the American Chemical Society. 129, 9, p. 2542-2547 6 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  84. Published

    Asymmetric crystal growth of alpha-resorcinol from the vapor phase: surface reconstruction and conformational change are the culprits

    Anwar, J., Chatchawalsaisin, J. & Kendrick, J., 2007, In: Angewandte Chemie International Edition. 46, 29, p. 5537-5540 4 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  85. 2006
  86. Published

    Molecular basis for dimethylsulfoxide (DMSO) action on lipid membranes

    Notman, R., Noro, M., O'Malley, B. & Anwar, J., 1/11/2006, In: Journal of the American Chemical Society. 128, 43, p. 13982-13983 2 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  87. Published

    Molecular simulations of skin lipids with DMSO: insights into penetration enhancer activity

    Notman, R., den Otter, W., Noro, M., Briels, W. & Anwar, J., 2006, In: Journal of Pharmacy and Pharmacology. 58, S1, p. A41-A41 1 p.

    Research output: Contribution to Journal/MagazineMeeting abstractpeer-review

  88. 2005
  89. Published

    Robust and accurate method for free-energy calculation of charged molecular systems

    Anwar, J. & Heyes, D., 8/06/2005, In: Journal of Chemical Physics. 122, 22, 7 p., ARTN 224117.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  90. Published

    Towards a mechanical model of skin: Insights into stratum corneum mechanical properties from hierarchical models of lipid organisation

    O'Malley, B., Moore, D. J., Noro, M. G., Anwar, J., Notman, B., Dauskhardt, R. & Bedford, E., 2005, Mechanical properties of bioinspired and biological materials: symposium held November29-December 2, 2004, Boston, Massachusetts, U.S.A. Viney, C., Katti, K., Ulm, F. J. & Hellmich, C. (eds.). Warrendale Pa.: Materials Research Society, p. 167-172 6 p. (MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS; vol. 844).

    Research output: Contribution in Book/Report/Proceedings - With ISBN/ISSNConference contribution/Paperpeer-review

  91. 2004
  92. Published

    Molecular simulation of polymorphic phase transformations in crystals

    Anwar, J., 09/2004, In: Journal of Pharmacy and Pharmacology. 56, p. S97-S97 1 p.

    Research output: Contribution to Journal/MagazineMeeting abstractpeer-review

  93. Published

    Molecular simulation of the mechanism of action of oleic acid as a drug penetration enhancer

    Notman, R., Noro, M., O'Malley, B. & Anwar, J., 09/2004, In: Journal of Pharmacy and Pharmacology. 56, p. S8-S9 2 p.

    Research output: Contribution to Journal/MagazineMeeting abstractpeer-review

  94. Published

    An approach to developing a force field for molecular simulation of martensitic phase transitions between phases with subtle differences in energy and structure

    Tuble, S., Anwar, J. & Gale, J., 14/01/2004, In: Journal of the American Chemical Society. 126, 1, p. 396-405 10 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  95. 2003
  96. Published

    Molecular dynamics simulations of granular compaction

    Sanchez-Castillo, F., Anwar, J. & Heyes, D., 9/09/2003, In: Chemistry of Materials. 15, 18, p. 3417-3430 14 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  97. Published

    Molecular dynamics simulations of granular compaction: The single granule case

    Sanchez-Castillo, F., Anwar, J. & Heyes, D., 8/03/2003, In: Journal of Chemical Physics. 118, 10, p. 4636-4648 13 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  98. Published

    Calculation of the melting point of NaCl by molecular simulation

    Anwar, J., Frenkel, D. & Noro, M., 8/01/2003, In: Journal of Chemical Physics. 118, 2, p. 728-735 8 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  99. 2001
  100. Published

    The effect of a penetration enhancer on lipid membrane - from computational prospective

    Wahab, H., Anwar, J., Barlow, D., Damodaran, K. & Merz, K., 01/2001, In: Biophysical Journal. 80, 1, p. 327A-327A 1 p.

    Research output: Contribution to Journal/MagazineMeeting abstractpeer-review

  101. 1999
  102. Published

    The riddle of resorcinol crystal growth revisited: molecular dynamics simulations of alpha-resorcinol crystal-water interface

    Hussain, M. & Anwar, J., 22/09/1999, In: Journal of the American Chemical Society. 121, 37, p. 8583-8591 9 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  103. Published

    Ab initio structure determination of sulfathiazole polymorph V from synchrotron X-ray powder diffraction data

    Chan, F., Anwar, J., Cernik, R., Barnes, P. & Wilson, R., 1/06/1999, In: Journal of Applied Crystallography. 32, p. 436-441 6 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  104. 1998
  105. Published

    Towards crystal engineering : probing crystallization processes by computer simulation

    Anwar, J., 12/1998, In: Journal of Pharmacy and Pharmacology. 50, 12, p. ii 1 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  106. Published

    Computer simulation of crystallization from solution

    Anwar, J. & Boateng, P., 23/09/1998, In: Journal of the American Chemical Society. 120, 37, p. 9600-9604 5 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  107. Published

    Investigation of progesterone loaded poly(D,L-lactide) microspheres using TMDSC, SEM and PXRD

    Hill, V., Passerini, N., Craig, D., Vickers, M., Anwar, J. & Feely, L., 1998, In: Journal of Thermal Analysis and Calorimetry. 54, 2, p. 673-685 13 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  108. 1996
  109. Published

    A molecular dynamics simulation study of the effects of defects on the transformation pressure of polymorphic phase transformations

    Devani, S. & Anwar, J., 22/08/1996, In: Journal of Chemical Physics. 105, 8, p. 3215-3218 4 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  110. Published

    Dielectric analysis of phosphorylcholine head group mobility in egg lecithin liposomes

    Smith, G., Shekunov, B., Shen, J., Duffy, A., Anwar, J., Wakerly, M. & Chakrabarti, R., 08/1996, In: Pharmaceutical Research. 13, 8, p. 1181-1185 5 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  111. Published

    Computer simulation of crystal-liquid interface: application to wettability of solids

    Anwar, J. & Khoshkhoo, S., 07/1996, In: Pharmaceutical Research. 13, 7, p. 1003-1007 5 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  112. Published

    Kinetics of the solid-state phase transformation of form beta to gamma of sulfanilamide using time-resolved energy-dispersive X-ray diffraction

    Sheridan, A. & Anwar, J., 05/1996, In: Chemistry of Materials. 8, 5, p. 1042-1051 10 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  113. Published

    Study of the effect of solvent on the morphology of crystals using molecular simulation: application to alpha-resorcinol and N-n-octyl-D-gluconamide

    Khoshkhoo, S. & Anwar, J., 21/03/1996, In: Journal of the Chemical Society, Faraday Transactions. 92, 6, p. 1023-1025 3 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  114. Published

    A kinetic study of the B1-B2 phase transition of rubidium iodide as a function of pressure

    RezaiFard, A., Anwar, J. & Clark, S., 1996, European powder diffraction, EPDIC IV: proceedings of the Fourth European Powder Diffraction Conference, held in Chester, England, July 1995 /. Cernik, R., Delhez, R. & Mittemeijer, E. (eds.). ZURICH-UETIKON: TRANSTEC PUBLICATIONS LTD, p. 375-381 7 p. (MATERIALS SCIENCE FORUM; vol. 228).

    Research output: Contribution in Book/Report/Proceedings - With ISBN/ISSNConference contribution/Paperpeer-review

  115. 1995
  116. Published

    DL-norleucine: redetermination of structure and observations with synchrotron radiation Laue diffraction on heating towards transformation

    Harding, M., Kariuki, B., Williams, L. & Anwar, J., 1/12/1995, In: Acta Crystallographica Section B: Structural Science. 51, p. 1059-1062 4 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  117. 1993
  118. Published

    Crystallization of polymorphs: the effect of solvent

    KHOSHKHOO, S. & ANWAR, J., 14/08/1993, In: Journal of Physics D: Applied Physics. 26, 8B, p. B90-B93 4 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  119. Published

    Analysis of time-resolved powder diffraction data using a pattern-decomposition method with restraints

    ANWAR, J., 1/06/1993, In: Journal of Applied Crystallography. 26, p. 413-421 9 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  120. 1992
  121. Published

    Kinetics of phase transformations in crystals of drug compounds using time-resolved powder x-ray diffraction

    ANWAR, J. & Barnes, P., 1992, In: Phase Transitions. 39, 1-4, p. 3-11 9 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  122. 1990
  123. Published

    The use of fast powder diffraction methods to study transformations

    Anwar, J., Barnes, P., Clark, S. M., Dooryhee, E., Hausermann, D. & Tarling, S. E., 04/1990, In: Journal of Materials Science Letters. 9, 4, p. 436-439 4 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  124. 1989
  125. Published

    Polymorphism of sulfathiazole

    Anwar, J., Tarling, S. E. & Barnes, P., 04/1989, In: Journal of Pharmaceutical Sciences. 78, 4, p. 337-342 6 p.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

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