Showing results (51-60 of 241) with videos related to
Sort By:
Pageof 25
Molecular 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 MerzCommunications Physics|October 13, 2025
Accurate quantum-centric simulations of intermolecular interactionsDanil Kaliakin, Akhil Shajan, Fangchun Liang, et al.The Journal of Physical Chemistry. A|May 16, 2013
Understanding the site selectivity in small-sized neutral and charged Al(n) (4 ≤ N ≤ 7) clusters using density functional theory based reactivity descriptors: a validation study on water molecule adsorptionSusanta Das, Sourav Pal, Sailaja KrishnamurtyJournal 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 MerzJournal of Molecular Graphics & Modelling|October 4, 2005
Quantum mechanical description of the interactions between DNA and waterLance M Westerhoff, Kenneth M MerzPageof 25