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Research

Professor Jamshed Anwar

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

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  1. 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/Magazine › Journal article › peer-review

  2. 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/Magazine › Literature review › peer-review

  3. Published

    Dielectric analysis of phosphorylcholine head group mobility in egg lecithin liposomes

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

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  4. 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/Magazine › Journal article › peer-review

  5. 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/Magazine › Journal article › peer-review

  6. Published

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

    Harding, MM., Kariuki, BM., 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/Magazine › Journal article › peer-review

  7. 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/Magazine › Journal article › peer-review

  8. 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/Magazine › Meeting abstract › peer-review

  9. 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/Magazine › Journal article › peer-review

  10. 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/Magazine › Journal article › peer-review

  11. 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/Magazine › Journal article › peer-review

  12. 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/Magazine › Meeting abstract › peer-review

  13. 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/Magazine › Journal article › peer-review

  14. 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/Magazine › Journal article › peer-review

  15. 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/Magazine › Journal article › peer-review

  16. 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/Magazine › Journal article › peer-review

  17. 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/Magazine › Journal article › peer-review

  18. Published

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

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

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  19. 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/Magazine › Journal article › peer-review

  20. 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/Magazine › Journal article › peer-review

  21. 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/Magazine › Journal article › peer-review

  22. Published

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

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

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  23. 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/Magazine › Journal article › peer-review

  24. 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/Magazine › Meeting abstract › peer-review

  25. 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/Magazine › Journal article › peer-review

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