Items where Author is "Anwar, J."

Journal Article

Rani, S. and Malik, F.P. and Anwar, J. and Zafar Paracha, R. (2022) Investigating effect of mutation on structure and function of G6PD enzyme : a comparative molecular dynamics simulation study. Peerj, 10: e12984. ISSN 2167-8359

Smith, D.G.A. and Lolinco, A.T. and Glick, Z.L. and Lee, J. and Alenaizan, A. and Barnes, T.A. and Borca, C.H. and Di Remigio, R. and Dotson, D.L. and Ehlert, S. and Heide, A.G. and Herbst, M.F. and Hermann, J. and Hicks, C.B. and Horton, J.T. and Hurtado, A.G. and Kraus, P. and Kruse, H. and Lee, S.J.R. and Misiewicz, J.P. and Naden, L.N. and Ramezanghorbani, F. and Scheurer, M. and Schriber, J.B. and Simmonett, A.C. and Steinmetzer, J. and Wagner, J.R. and Ward, L. and Welborn, M. and Altarawy, D. and Anwar, J. and Chodera, J.D. and Dreuw, A. and Kulik, H.J. and Liu, F. and Martínez, T.J. and Matthews, D.A. and Schaefer H.F., III and Šponer, J. and Turney, J.M. and Wang, L.-P. and De Silva, N. and King, R.A. and Stanton, J.F. and Gordon, M.S. and Windus, T.L. and Sherrill, C.D. and Burns, L.A. (2021) Quantum chemistry common driver and databases (qcdb) and quantum chemistry engine (qce ngine) : Automation and interoperability among computational chemistry programs. Journal of Chemical Physics, 155 (20): 204801. ISSN 0021-9606

Wynn, P.M. and Ambler, S. and Grefe, I. and Soto, D.X. and Surridge, B.W.J. and Gabitov, R.I. and Barker, P.A. and Anwar, J. and Quin, A. and Pereira, M.G. and Grant, H.K. (2021) Contemporary systematics of vadose zone nitrate capture by speleothem carbonate. Chemical Geology, 571: 120172. ISSN 0009-2541

Khanna, V. and Anwar, J. and Frenkel, D. and Doherty, M.F. and Peters, B. (2021) Free energies of crystals computed using Einstein crystal with fixed center of mass and differing spring constants. Journal of Chemical Physics, 154 (16): 164509. ISSN 0021-9606

Anwar, J. and Leitold, C. and Peters, B. (2020) Solid-solid phase equilibria in the NaCl-KCl system. Journal of Chemical Physics, 152 (14): 144109. ISSN 0021-9606

Ding, H. and Wu, L. and Guo, T. and Zhang, Z. and Garba, B.M. and Gao, G. and He, S. and Zhang, W. and Chen, Y. and Lin, Y. and Liu, H. and Anwar, J. and Zhang, J. (2019) CD-MOFs Crystal Transformation from Dense to Highly Porous Form for Efficient Drug Loading. Crystal Growth and Design, 19 (7). pp. 3888-3894. ISSN 1528-7483

Ghonaim, H. M. and Periasamy, N. and Noro, M. G. and Anwar, J. (2012) Preparation and characterisation of a simple 3-component model skin membrane. International Journal of Cosmetic Science, 34 (4). p. 369. ISSN 0142-5463

de Waard, H. and Amani, A. and Kendrick, J. and Hinrichs, W. L. J. and Frijlink, H. W. and Anwar, J. (2010) Evaluation and optimization of a force field for crystalline forms of mannitol and sorbitol. Journal of Physical Chemistry B, 114 (1). pp. 429-436. ISSN 1520-6106

den Otter, W. K. and Notman, R. and Anwar, J. and Noro, M. G. and Briels, W. J. (2008) Modulating the skin barrier function by DMSO : molecular dynamics simulations of hydrophilic and hydrophobic transmembrane pores. Chemistry and Physics of Lipids, 154 (Supple). S2-S3. ISSN 0009-3084

Notman, R. and den Otter, W. and Noro, M. and Briels, W. and Anwar, J. (2006) Molecular simulations of skin lipids with DMSO : insights into penetration enhancer activity. Journal of Pharmacy and Pharmacology, 58 (S1). A41-A41. ISSN 0022-3573

Anwar, J. (2004) Molecular simulation of polymorphic phase transformations in crystals. Journal of Pharmacy and Pharmacology, 56. S97-S97. ISSN 0022-3573

Notman, R. and Noro, M. and O'Malley, B. and Anwar, J. (2004) Molecular simulation of the mechanism of action of oleic acid as a drug penetration enhancer. Journal of Pharmacy and Pharmacology, 56. S8-S9. ISSN 0022-3573