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Journal 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 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 50