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David L Mobley

Showing results (101-110 of 153) with videos related to

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Journal of Molecular Biology|June 30, 2007
Predicting absolute ligand binding free energies to a simple model siteDavid L Mobley, Alan P Graves, John D Chodera, et al.
Journal of Chemical Theory and Computation|October 6, 2018
Reproducibility of Free Energy Calculations across Different Molecular Simulation Software PackagesHannes H Loeffler, Stefano Bosisio, Guilherme Duarte Ramos Matos, et al.
Bioorganic & Medicinal Chemistry Letters|November 10, 2009
Synthesis and monoamine transporter affinity of 3alpha-arylmethoxy-3beta-arylnortropanesHarneet Kaur, Sari Izenwasser, Abha Verma, et al.
Journal of Computer-Aided Molecular Design|October 9, 2016
Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challengeAriën S Rustenburg, Justin Dancer, Baiwei Lin, et al.
Biochemistry|October 23, 2019
Structure of a <i>Mycobacterium tuberculosis</i> Heme-Degrading Protein, MhuD, Variant in Complex with Its ProductAlex Chao, Kalistyn H Burley, Paul J Sieminski, et al.
Journal of Chemical and Engineering Data|October 24, 2017
Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv databaseGuilherme Duarte Ramos Matos, Daisy Y Kyu, Hannes H Loeffler, et al.
Journal of Molecular Biology|July 31, 2013
Blind prediction of charged ligand binding affinities in a model binding siteGabriel J Rocklin, Sarah E Boyce, Marcus Fischer, et al.
Communications Chemistry|June 17, 2021
Non-bonded force field model with advanced restrained electrostatic potential charges (RESP2)Michael Schauperl, Paul S Nerenberg, Hyesu Jang, et al.
Journal of Computer-Aided Molecular Design|September 24, 2020
Enhancing water sampling of buried binding sites using nonequilibrium candidate Monte CarloTeresa Danielle Bergazin, Ido Y Ben-Shalom, Nathan M Lim, et al.
Scientific Reports|August 14, 2020
Insights on small molecule binding to the Hv1 proton channel from free energy calculations with molecular dynamics simulationsVictoria T Lim, Andrew D Geragotelis, Nathan M Lim, et al.
Pageof 16

Showing results (101-110 of 153) with videos related to

Sort By:
Pageof 16
Journal of Molecular Biology|June 30, 2007
Predicting absolute ligand binding free energies to a simple model siteDavid L Mobley, Alan P Graves, John D Chodera, et al.
Journal of Chemical Theory and Computation|October 6, 2018
Reproducibility of Free Energy Calculations across Different Molecular Simulation Software PackagesHannes H Loeffler, Stefano Bosisio, Guilherme Duarte Ramos Matos, et al.
Bioorganic & Medicinal Chemistry Letters|November 10, 2009
Synthesis and monoamine transporter affinity of 3alpha-arylmethoxy-3beta-arylnortropanesHarneet Kaur, Sari Izenwasser, Abha Verma, et al.
Journal of Computer-Aided Molecular Design|October 9, 2016
Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challengeAriën S Rustenburg, Justin Dancer, Baiwei Lin, et al.
Biochemistry|October 23, 2019
Structure of a <i>Mycobacterium tuberculosis</i> Heme-Degrading Protein, MhuD, Variant in Complex with Its ProductAlex Chao, Kalistyn H Burley, Paul J Sieminski, et al.
Journal of Chemical and Engineering Data|October 24, 2017
Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv databaseGuilherme Duarte Ramos Matos, Daisy Y Kyu, Hannes H Loeffler, et al.
Journal of Molecular Biology|July 31, 2013
Blind prediction of charged ligand binding affinities in a model binding siteGabriel J Rocklin, Sarah E Boyce, Marcus Fischer, et al.
Communications Chemistry|June 17, 2021
Non-bonded force field model with advanced restrained electrostatic potential charges (RESP2)Michael Schauperl, Paul S Nerenberg, Hyesu Jang, et al.
Journal of Computer-Aided Molecular Design|September 24, 2020
Enhancing water sampling of buried binding sites using nonequilibrium candidate Monte CarloTeresa Danielle Bergazin, Ido Y Ben-Shalom, Nathan M Lim, et al.
Scientific Reports|August 14, 2020
Insights on small molecule binding to the Hv1 proton channel from free energy calculations with molecular dynamics simulationsVictoria T Lim, Andrew D Geragotelis, Nathan M Lim, et al.
Pageof 16