Setting the Record Straight: The Origin of the Pharmacophore Concept. | 0 | 0.34 | 2014 |
Molecular mechanics force-field development for amino acid zwitterions. | 1 | 0.43 | 2003 |
Molecular mechanics (MM3) parameterization for oxocarbenium ions. | 0 | 0.34 | 2000 |
Computational methods for conformational analysis of unsymmetrical 1, 3-diamines: 3-aminotropanes. | 0 | 0.34 | 1999 |
Molecular mechanics studies of acyl halides: I. Molecular structures and conformational analysis | 1 | 0.48 | 1998 |
Molecular mechanics studies of acyl halides: II. Vibrational spectra. | 0 | 0.34 | 1998 |
MM3(96) parameterization for camptothecin analogs: An ab initio and molecular mechanics study. | 1 | 2.53 | 1997 |
Ab initio calculations and molecular mechanics (MM3) force field development for ammonium and protonated aliphatic amines | 2 | 0.77 | 1997 |
Comparative molecular field analysis and molecular modeling studies of 20-(S)- camptothecin analogs as inhibitors of DNA topoisomerase I and anticancer/antitumor agents. | 2 | 2.58 | 1997 |
Parameter analysis and refinement toolkit system and its application in MM3 parameterization for phosphine and its derivatives | 5 | 3.62 | 1996 |
Ab initio and molecular mechanics (MM2 and MM3) calculations of positively charged conjugated nitrogen-containing compounds | 0 | 0.34 | 1996 |
Ab Initio and Molecular Mechanics /MM2 and MM3) Calculations of Nonconjugated Positively Charged Nitrogen-Containg Compounds | 1 | 0.63 | 1995 |
Molecular mechanics (MM3) parameterization of hydroxylamine and methyl derivatives | 2 | 0.81 | 1994 |