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David L Mobley

Showing results (1-10 of 152) with videos related to

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Journal of Computer-Aided Molecular Design|November 25, 2011
Let's get honest about samplingDavid L Mobley
Journal of Computer-Aided Molecular Design|July 1, 2014
Box size effects are negligible for solvation free energies of neutral solutesSreeja Parameswaran, David L Mobley
Digital Discovery|February 12, 2026
A simple compound prioritization method for drug discovery considering multi-target bindingAlžbeta Kubincová, David L Mobley
The Journal of Physical Chemistry. B|February 25, 2026
A Quadrupolar Fullerene Model System for Benchmarking Enhanced Sampling of Trapped Waters in Free Energy CalculationsSwapnil Wagle, David L Mobley
The Journal of Chemical Physics|December 27, 2012
Perspective: Alchemical free energy calculations for drug discoveryDavid L Mobley, Pavel V Klimovich
Journal of Chemical Theory and Computation|December 8, 2020
Reversibly Sampling Conformations and Binding Modes Using Molecular DartingSamuel C Gill, David L Mobley
Journal of Computer-Aided Molecular Design|October 22, 2015
A Python tool to set up relative free energy calculations in GROMACSPavel V Klimovich, David L Mobley
Journal of Computer-Aided Molecular Design|June 15, 2014
FreeSolv: a database of experimental and calculated hydration free energies, with input filesDavid L Mobley, J Peter Guthrie
Methods in Molecular Biology (Clifton, N.J.)|October 5, 2012
An introduction to best practices in free energy calculationsMichael R Shirts, David L Mobley
Annual Review of Biophysics|April 13, 2017
Predicting Binding Free Energies: Frontiers and BenchmarksDavid L Mobley, Michael K Gilson
Pageof 16

Showing results (1-10 of 152) with videos related to

Sort By:
Pageof 16
Journal of Computer-Aided Molecular Design|November 25, 2011
Let's get honest about samplingDavid L Mobley
Journal of Computer-Aided Molecular Design|July 1, 2014
Box size effects are negligible for solvation free energies of neutral solutesSreeja Parameswaran, David L Mobley
Digital Discovery|February 12, 2026
A simple compound prioritization method for drug discovery considering multi-target bindingAlžbeta Kubincová, David L Mobley
The Journal of Physical Chemistry. B|February 25, 2026
A Quadrupolar Fullerene Model System for Benchmarking Enhanced Sampling of Trapped Waters in Free Energy CalculationsSwapnil Wagle, David L Mobley
The Journal of Chemical Physics|December 27, 2012
Perspective: Alchemical free energy calculations for drug discoveryDavid L Mobley, Pavel V Klimovich
Journal of Chemical Theory and Computation|December 8, 2020
Reversibly Sampling Conformations and Binding Modes Using Molecular DartingSamuel C Gill, David L Mobley
Journal of Computer-Aided Molecular Design|October 22, 2015
A Python tool to set up relative free energy calculations in GROMACSPavel V Klimovich, David L Mobley
Journal of Computer-Aided Molecular Design|June 15, 2014
FreeSolv: a database of experimental and calculated hydration free energies, with input filesDavid L Mobley, J Peter Guthrie
Methods in Molecular Biology (Clifton, N.J.)|October 5, 2012
An introduction to best practices in free energy calculationsMichael R Shirts, David L Mobley
Annual Review of Biophysics|April 13, 2017
Predicting Binding Free Energies: Frontiers and BenchmarksDavid L Mobley, Michael K Gilson
Pageof 16