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Journal of Computer-Aided Molecular Design|March 17, 2012
Understanding the mechanism of cellulose dissolution in 1-butyl-3-methylimidazolium chloride ionic liquid via quantum chemistry calculations and molecular dynamics simulationsHao Xu, Wenxiao Pan, Ruoxi Wang, et al.Journal of Computer-Aided Molecular Design|March 20, 2012
Real value prediction of protein folding rate change upon point mutationLiang-Tsung Huang, M Michael GromihaJournal of Computer-Aided Molecular Design|February 29, 2012
Pose prediction and virtual screening performance of GOLD scoring functions in a standardized testJohn W Liebeschuetz, Jason C Cole, Oliver KorbJournal of Computer-Aided Molecular Design|April 1, 1996
Structure-activity correlation study of HIV-1 inhibitors: electronic and molecular parametersS Hannongbua, L Lawtrakul, J LimtrakulJournal of Computer-Aided Molecular Design|October 1, 1995
Computational analysis of binding affinity and neural response at the L-alanine receptorT J Venanzi, B P Bryant, C A VenanziJournal of Computer-Aided Molecular Design|February 1, 1993
GenStar: a method for de novo drug designS H Rotstein, M A MurckoJournal of Computer-Aided Molecular Design|February 1, 1993
Nonlinear dependence in comparative molecular field analysisK H KimJournal of Computer-Aided Molecular Design|February 1, 1996
Molecular modelling and conformational analysis of a GABAB antagonistB Pirard, F DurantJournal of Computer-Aided Molecular Design|February 1, 1996
Determination of receptor-bound drug conformations by QSAR using flexible fitting to derive a molecular similarity indexC A Montanari, M S Tute, A E Beezer, et al.Journal of Computer-Aided Molecular Design|February 1, 1996
Placement of medium-sized molecular fragments into active sites of proteinsM Rarey, S Wefing, T LengauerPageof 263