ISSN 0892-7022 (Print); ISSN 1029-0435 (Online)
Publisher: Taylor and Francis Ltd
Molecular Dynamics Simulations of the Goethite-water Interface pp. 1-11(11) Authors: Shroll, Robert M.; Straatsma, T.P.
Microstructure of Water At the Level of Three-particle Correlation Functions As Predicted by Classical Intermolecular Models pp. 13-21(9) Authors: Peltz, Csaba; Baranyai, AndrĂ¡s; Chialvo, Ariel A.; Cummings, Peter T.
Boolean Scheme for Programming Trial Moves That Involve Molecule Insertion and Removal in Monte Carlo Simulation pp. 23-28(6) Authors: Carrero-Mantilla, Javier; Llano-Restrepo, Mario
Object-oriented Programming Paradigms for Molecular Modeling pp. 29-46(18) Authors: Gupta, Amit; Chempath, Shaji; Sanborn, Martin J.; Clark, Louis A.; Snurr, Randall Q.
Internal Structure and Dynamics of the Decamer D(ATGCAGTCAG)2 In Li+-H2O Solution: A molecular Dynamics Simulation Study pp. 47-62(16) Authors: Lohikoski, Raimo A.; Timonen, Jussi; Lyubartsev, Alexander P.; Laaksonen, Aatto
Modified Velocity Scaling Scheme for Molecular Dynamics at Constant Temperature and/or Pressure pp. 63-69(7) Author: Morishita, Tetsuya
Molecular Simulation of Chemical Structure and Biological Activity of Thromboxane Synthase Inhibitors by Multivariate Neural-network Analysis pp. 71-75(5) Author: Mager, Peter P.