Conformational stability and normal coordinate analyses for 1-halovinyl azides CH2=CX–NNN (X is F, Cl and Br) Hassan M. BadawiWolfgang FörnerKhalid S. Al-Ghamdi Original Paper 29 April 2003 Pages: 355 - 364
Prediction of solubility of aliphatic alcohols using the restricted components of autocorrelation method (RCAM) Mohamed NohairDriss Zakarya Original Paper 23 August 2003 Pages: 365 - 371
Molecular dynamics study of 4-OH-phenylacetyl-D-Y(Me)FQNRPR-NH2 selectivity to V1a receptor Artur GiełdońRajmund KaźmierkiewiczJerzy Ciarkowski Original Paper 07 October 2003 Pages: 372 - 378
Theoretical studies of the conformational behavior of chain molecules containing polar groups: simulations of a poly(vinylidene fluoride) model Yong ChenChwen-Yang Shew Original Paper 27 September 2003 Pages: 379 - 389
A theoretical study of substituent effects on tautomerism of 2-hydroxybenzimidazoles Cemil ÖğretirSelma YarlıganSeda Topal Original Paper 23 August 2003 Pages: 390 - 394
Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer-aided molecular design I: discovery of anticancer compounds Humberto Gonzáles-DíazOrnella GiaMiguel A. Cabrera Original Paper 16 September 2003 Pages: 395 - 407
AM1* parameters for phosphorus, sulfur and chlorine Paul WingetAnselm H. C. HornTimothy Clark Original Paper 04 September 2003 Pages: 408 - 414
An algorithm to filter out packing arrangements based on steric clashes Bohdan KoudelkaPavla Capkova Original Paper 27 September 2003 Pages: 415 - 418
Molecular recognition between 4aS/R-galanthamine diastereoisomers and α-cyclodextrin Ming SunXiaohong LiuYufen Zhao Original Paper 07 October 2003 Pages: 419 - 422