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Journal 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 HamelbergThe Journal of Physical Chemistry Letters|August 15, 2015
Achieving Rigorous Accelerated Conformational Sampling in Explicit SolventUrmi Doshi, 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 HamelbergJournal of Chemical Theory and Computation|November 26, 2015
Improved Statistical Sampling and Accuracy with Accelerated Molecular Dynamics on Rotatable TorsionsUrmi Doshi, Donald HamelbergThe Journal of Chemical Physics|June 17, 2010
Examining the limits of time reweighting and Kramers' rate theory to obtain correct kinetics from accelerated molecular dynamicsYao Xin, Urmi Doshi, Donald HamelbergRNA (New York, N.Y.)|December 24, 2011
Atomic-level insights into metabolite recognition and specificity of the SAM-II riboswitchUrmi Doshi, Jennifer M Kelley, Donald HamelbergJournal of Chemical Theory and Computation|December 1, 2015
Water's Contribution to the Energetic Roughness from Peptide DynamicsQuentin Johnson, Urmi Doshi, Tongye Shen, et al.Biopolymers|September 10, 2015
Enhanced molecular dynamics sampling of drug target conformationsIsela G Rodriguez-Bussey, Urmi Doshi, Donald HamelbergPageof 11