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Journal of Computational Chemistry|November 25, 2003
Development and validation of COMPASS force field parameters for molecules with aliphatic azide chainsMichael J McQuaid, Huai Sun, David RigbyJournal of Computational Chemistry|June 9, 2004
Electrostatic potentials and fields from density expansions of deformed atoms in moleculesJ Fernández Rico, R López, I Ema, et al.Journal of Computational Chemistry|June 9, 2004
Wavelet algorithm for solving integral equations of molecular liquids. A test for the reference interaction site modelGennady N Chuev, Maxim V FedorovJournal of Computational Chemistry|June 9, 2004
Charge optimization of the interface between protein kinases and their ligandsPeter A Sims, Chung F Wong, J Andrew McCammonJournal of Computational Chemistry|April 7, 2004
Stability issues of covalently and noncovalently bonded peptide subunitsAndrás Perczel, Péter Hudáky, Anna K Füzéry, et al.Journal of Computational Chemistry|March 18, 2004
Calculation of electrostatic interaction energies in molecular dimers from atomic multipole moments obtained by different methods of electron density partitioningAnatoliy Volkov, Philip CoppensJournal of Computational Chemistry|July 21, 2004
UCSF Chimera--a visualization system for exploratory research and analysisEric F Pettersen, Thomas D Goddard, Conrad C Huang, et al.Journal of Computational Chemistry|July 21, 2004
Energetic and topological analysis of the reaction of Mo and Mo2 with NH3, C2H2, and C2H4 moleculesMaria Del Carmen Michelini, Nino Russo, Mohammad Esmaïl Alikhani, et al.Journal of Computational Chemistry|July 21, 2004
A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6Chris Oostenbrink, Alessandra Villa, Alan E Mark, et al.Journal of Computational Chemistry|April 7, 2004
Efficient approximate all-atom solvent accessible surface area method parameterized for folded and denatured protein conformationsOlgun Guvench, Charles L BrooksPageof 593