Mehran Jalaie, Ph.D.
Affiliations: | 2000 | Purdue University, West Lafayette, IN, United States |
Area:
Physical ChemistryGoogle:
"Mehran Jalaie"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Kenny B. Lipkowitz | grad student | 2000 | Purdue | |
| (Atomistic modeling in tribology.) | ||||
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Publications
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| Jalaie M, Arimoto R, Gifford E, et al. (2004) Prediction of drug-like molecular properties: modeling cytochrome p450 interactions. Methods in Molecular Biology (Clifton, N.J.). 275: 449-520 |
| Erickson JA, Jalaie M, Robertson DH, et al. (2004) Lessons in molecular recognition: the effects of ligand and protein flexibility on molecular docking accuracy. Journal of Medicinal Chemistry. 47: 45-55 |
| Schefzick S, Lämmerhofer M, Lindner W, et al. (2000) Comparative molecular field analysis of quinine derivatives used as chiral selectors in liquid chromatography: 3D QSAR for the purposes of molecular design of chiral stationary phases. Chirality. 12: 742-50 |
| Schefzick S, Lindner W, Lipkowitz KB, et al. (2000) Enantiodiscrimination by a quinine-based chiral stationary phase: a computational study. Chirality. 12: 7-15 |
| Jalaie M, Lipkowitz KB. (2000) Published force field parameters for molecular mechanics, molecular dynamics, and Monte Carlo simulations Reviews in Computational Chemistry. 14: 441-486 |
| Lipkowitz KB, Jalaie M, Robertson D, et al. (1999) Interdisciplinary Learning with Computational Chemistry: A Collaboration between Chemistry and Geology Journal of Chemical Education. 76: 684-688 |
| Jalaie M, Weatherhead S, Lipkowitz KB, et al. (1997) Modulating force constants in molecular springs Electronic Journal of Theoretical Chemistry. 2: 268-272 |
| Franken KA, Jalaie M, Dykstra CE. (1992) Model studies of six-membered water clusters Chemical Physics Letters. 198: 59-66 |