Segmental analysis of molecular surface electrostatic potentials: application to enzyme inhibition Tore BrinckPing JinPeter Politzer Original Paper Pages: 77 - 83
Molecular modeling of diastereoisomeric aggregates of L/D ser/histamine amide with 5′-TpTpdC-3′ Ming SunChangjin ZhuYufen Zhao Original Paper Pages: 84 - 87
Computational docking of L-arginine and its structural analogues to C-terminal domain of Escherichia coli arginine repressor protein (ArgRc) Rowyna KuehNoorsaadah Abdul RahmanAmir Feisal Merican Original Paper Pages: 88 - 98
A computer-aided quantum chemical study of the N 15 − cluster Liping ChengQianshu LiShaowen Zhang Original Paper Pages: 99 - 107
Modeling of the phase equilibria of polystyrene in methylcyclohexane with semi-empirical quantum mechanical methods I Hanna Wilczura-WachnikSvava Ósk Jónsdóttir Original Paper Pages: 108 - 113
Molecular dynamics simulation of human immunodeficiency virus protein U (Vpu) in lipid/water Langmuir monolayer Feng Sun Original Paper Pages: 114 - 123
Theoretical potential functions and vibrational analysis for halocarbonyl azides CXO-NNN (X=F, Cl and Br) Hassan M. BadawiWolfgang FörnerKhalid S. Al-Ghamdi Original Paper Pages: 124 - 133