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Journal of Chemical Theory and Computation|December 5, 2015
Oscillatory Diffusion and Second-Order Cyclostationarity in Alanine Tripeptide from Molecular Dynamics SimulationKa Chun Ho, Donald HamelbergJournal of Chemical Theory and Computation|October 24, 2018
Combinatorial Coarse-Graining of Molecular Dynamics Simulations for Detecting Relationships between Local Configurations and Overall ConformationsKa Chun Ho, Donald HamelbergThe Journal of Chemical Physics|July 24, 2008
A statistical analysis of the precision of reweighting-based simulationsTongye Shen, Donald HamelbergJournal of Chemical Theory and Computation|November 25, 2015
Extracting Realistic Kinetics of Rare Activated Processes from Accelerated Molecular Dynamics Using Kramers' TheoryUrmi Doshi, Donald HamelbergBiochimica Et Biophysica Acta|August 26, 2014
Towards fast, rigorous and efficient conformational sampling of biomolecules: Advances in accelerated molecular dynamicsUrmi Doshi, Donald HamelbergAdvances in Experimental Medicine and Biology|January 22, 2014
The dilemma of conformational dynamics in enzyme catalysis: perspectives from theory and experimentUrmi Doshi, Donald HamelbergProteins|December 20, 2014
Loss of intramolecular electrostatic interactions and limited conformational ensemble may promote self-association of cis-tau peptideArghya Barman, Donald HamelbergThe Journal of Physical Chemistry. B|November 27, 2009
Reoptimization of the AMBER force field parameters for peptide bond (Omega) torsions using accelerated molecular dynamicsUrmi Doshi, Donald HamelbergBiochemistry|May 21, 2014
Cysteine-mediated dynamic hydrogen-bonding network in the active site of Pin1Arghya Barman, Donald HamelbergThe Journal of Physical Chemistry Letters|August 15, 2015
Achieving Rigorous Accelerated Conformational Sampling in Explicit SolventUrmi Doshi, Donald HamelbergPageof 11