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Methods in Molecular Biology (Clifton, N.J.)|October 30, 2020
Parameterization of a Dioxygen Binding Metal Site Using the MCPB.py ProgramPengfei Li, Kenneth M MerzPhysical Chemistry Chemical Physics : PCCP|March 26, 2010
Importance of loop dynamics in the neocarzinostatin chromophore binding and release mechanismsBing Wang, Kenneth M MerzJournal of Chemical Information and Modeling|November 5, 2025
PEAS: An Application for Autonomous Precision Conformation SamplingMithony Keng, Kenneth M MerzMolecular Physics|June 18, 2010
Assessment of the CCSD and CCSD(T) Coupled-Cluster Methods in Calculating Heats of Formation for Cu ComplexesMichael N Weaver, Kenneth M MerzThe Journal of Physical Chemistry. B|August 11, 2006
Role of solvation in the energy stabilization inside the hydrophobic core of the protein rubredoxinKevin E Riley, Kenneth M MerzThe Journal of Physical Chemistry. A|February 15, 2007
Insights into the strength and origin of halogen bonding: the halobenzene-formaldehyde dimerKevin E Riley, Kenneth M MerzAccounts of Chemical Research|December 25, 2014
Role of substrate dynamics in protein prenylation reactionsDhruva K Chakravorty, Kenneth M MerzAdvances in Protein Chemistry and Structural Biology|December 3, 2014
Studying allosteric regulation in metal sensor proteins using computational methodsDhruva K Chakravorty, Kenneth M MerzJournal of Chemical Theory and Computation|December 3, 2015
Semiempirical Comparative Binding Energy Analysis (SE-COMBINE) of a Series of Trypsin InhibitorsMartin B Peters, Kenneth M MerzJournal of Chemical Theory and Computation|December 4, 2015
Development of a Parametrized Force Field To Reproduce Semiempirical GeometriesAndrew M Wollacott, Kenneth M MerzPageof 23