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Journal of Computational Chemistry|October 15, 2009
Q-Dock(LHM): Low-resolution refinement for ligand comparative modelingMichal Brylinski, Jeffrey SkolnickJournal of Computational Chemistry|February 7, 2014
A general, recursive, and open-ended response codeMagnus Ringholm, Dan Jonsson, Kenneth RuudJournal of Computational Chemistry|February 7, 2014
Accessing the applicability of polarized protein-specific charge in linear interaction energy analysisXiangyu Jia, Juan Zeng, John Z H Zhang, et al.Journal of Computational Chemistry|April 12, 2017
Optimization of the GBMV2 implicit solvent force field for accurate simulation of protein conformational equilibriaKuo Hao Lee, Jianhan ChenJournal of Computational Chemistry|May 28, 2008
Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvationYuto Komeiji, Takeshi Ishikawa, Yuji Mochizuki, et al.Journal of Computational Chemistry|May 28, 2008
Noncovalent interactions in supramolecular complexes: a study on corannulene and the double concave buckycatcherBryan M WongJournal of Computational Chemistry|June 7, 2008
High-precision calculation of Hartree-Fock energy of crystalsM J Gillan, D Alfè, S de Gironcoli, et al.Journal of Computational Chemistry|October 9, 2009
Comparative study of various normal mode analysis techniques based on partial HessiansAn Ghysels, Veronique Van Speybroeck, Ewald Pauwels, et al.Journal of Computational Chemistry|September 1, 2019
Theoretical study of methane adsorption and C─H bond activation over Fe-embedded graphene: Effect of external electric fieldSombat Ketrat, Thana Maihom, Piti Treesukul, et al.Journal of Computational Chemistry|September 1, 2019
A Molecular Mechanics Model for FlavinsAlexey AleksandrovPageof 593