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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

    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/Magazine › Journal article › peer-review

  2. 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/Magazine › Journal article › peer-review

  3. 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

  4. 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/Magazine › Journal article › peer-review

  5. 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

  6. 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/Magazine › Journal article › peer-review

  7. 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

  8. 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/Magazine › Meeting abstract › peer-review

  9. 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/Magazine › Journal article › peer-review

  10. 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/Magazine › Journal article › peer-review

  11. 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/Magazine › Journal article › peer-review

  12. 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/Magazine › Journal article › peer-review

  13. 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/Magazine › Journal article › peer-review

  14. 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/Magazine › Journal article › peer-review

  15. 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

  16. 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

  17. 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

  18. 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

  19. 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

  20. 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/Magazine › Journal article › peer-review

  21. 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

  22. 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

  23. 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

  24. 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/Magazine › Meeting abstract › peer-review

  25. 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/Magazine › Journal article › peer-review

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