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Journal of Computational Chemistry|March 10, 2011
Task-parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high-performance super-computersBarbara Collignon, Roland Schulz, Jeremy C Smith, et al.The Journal of Physical Chemistry. B|July 21, 2006
Can proteins and crystals self-catalyze methyl rotations?Jerome Baudry, Jeremy C SmithJournal of Computational Chemistry|July 2, 2013
VinaMPI: facilitating multiple receptor high-throughput virtual docking on high-performance computersSally R Ellingson, Jeremy C Smith, Jerome BaudryThe Journal of Physical Chemistry. B|February 21, 2013
Three entropic classes of side chain in a globular proteinDennis C Glass, Marimuthu Krishnan, Jeremy C Smith, et al.Proteins|January 23, 2016
General trends of dihedral conformational transitions in a globular proteinYinglong Miao, Jerome Baudry, Jeremy C Smith, et al.The Journal of Physical Chemistry. B|September 9, 2014
Multi-conformer ensemble docking to difficult protein targetsSally R Ellingson, Yinglong Miao, Jerome Baudry, et al.Journal of the American Chemical Society|November 1, 2011
Simulation analysis of the temperature dependence of lignin structure and dynamicsLoukas Petridis, Roland Schulz, Jeremy C SmithThe Journal of Physical Chemistry. B|January 30, 2019
Ensemble Docking in Drug Discovery: How Many Protein Configurations from Molecular Dynamics Simulations are Needed To Reproduce Known Ligand Binding?Wilfredo Evangelista Falcon, Sally R Ellingson, Jeremy C Smith, et al.The Journal of Physical Chemistry. B|April 5, 2012
Derivation of mean-square displacements for protein dynamics from elastic incoherent neutron scatteringZheng Yi, Yinglong Miao, Jerome Baudry, et al.The Journal of Physical Chemistry. B|November 1, 2008
Key role of active-site water molecules in bacteriorhodopsin proton-transfer reactionsAna-Nicoleta Bondar, Jerome Baudry, Sándor Suhai, et al.Pageof 38