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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 MerzJournal of Chemical Theory and Computation|February 17, 2025
Integrating Machine Learning and Quantum Circuits for Proton Affinity PredictionsHongni Jin, Kenneth M MerzJournal of Chemical Information and Modeling|April 8, 2024
Modeling Zinc Complexes Using Neural NetworksHongni Jin, Kenneth M MerzJournal of Chemical Theory and Computation|May 14, 2024
LigandDiff: de Novo Ligand Design for 3D Transition Metal Complexes with Diffusion ModelsHongni Jin, 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 MerzPageof 24