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Nathan M Lim

Showing results (1-10 of 15) with videos related to

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Journal of Chemical Theory and Computation|July 28, 2016
Sensitivity in Binding Free Energies Due to Protein ReorganizationNathan M Lim, Lingle Wang, Robert Abel, et al.
Journal of Chemical Theory and Computation|February 15, 2020
Sampling Conformational Changes of Bound Ligands Using Nonequilibrium Candidate Monte Carlo and Molecular DynamicsSukanya Sasmal, Samuel C Gill, Nathan M Lim, et al.
Journal of Chemical Theory and Computation|March 14, 2020
Fragment Pose Prediction Using Non-equilibrium Candidate Monte Carlo and Molecular Dynamics SimulationsNathan M Lim, Meghan Osato, Gregory L Warren, et al.
Journal of Computer-Aided Molecular Design|March 12, 2014
Blind prediction of solvation free energies from the SAMPL4 challengeDavid L Mobley, Karisa L Wymer, Nathan M Lim, et al.
Journal of Chemical Theory and Computation|January 25, 2019
Enhancing Side Chain Rotamer Sampling Using Nonequilibrium Candidate Monte CarloKalistyn H Burley, Samuel C Gill, Nathan M Lim, et al.
Chemical Research in Toxicology|May 28, 2019
Binding Modes and Metabolism of CaffeineZuzana Jandova, Samuel C Gill, Nathan M Lim, 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.
The Journal of Physical Chemistry. B|March 1, 2018
Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte CarloSamuel C Gill, Nathan M Lim, Patrick B Grinaway, et al.
Journal of Computer-Aided Molecular Design|September 28, 2013
Lead optimization mapper: automating free energy calculations for lead optimizationShuai Liu, Yujie Wu, Teng Lin, et al.
Pageof 2

Showing results (1-10 of 15) with videos related to

Sort By:
Pageof 2
Journal of Chemical Theory and Computation|July 28, 2016
Sensitivity in Binding Free Energies Due to Protein ReorganizationNathan M Lim, Lingle Wang, Robert Abel, et al.
Journal of Chemical Theory and Computation|February 15, 2020
Sampling Conformational Changes of Bound Ligands Using Nonequilibrium Candidate Monte Carlo and Molecular DynamicsSukanya Sasmal, Samuel C Gill, Nathan M Lim, et al.
Journal of Chemical Theory and Computation|March 14, 2020
Fragment Pose Prediction Using Non-equilibrium Candidate Monte Carlo and Molecular Dynamics SimulationsNathan M Lim, Meghan Osato, Gregory L Warren, et al.
Journal of Computer-Aided Molecular Design|March 12, 2014
Blind prediction of solvation free energies from the SAMPL4 challengeDavid L Mobley, Karisa L Wymer, Nathan M Lim, et al.
Journal of Chemical Theory and Computation|January 25, 2019
Enhancing Side Chain Rotamer Sampling Using Nonequilibrium Candidate Monte CarloKalistyn H Burley, Samuel C Gill, Nathan M Lim, et al.
Chemical Research in Toxicology|May 28, 2019
Binding Modes and Metabolism of CaffeineZuzana Jandova, Samuel C Gill, Nathan M Lim, 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.
The Journal of Physical Chemistry. B|March 1, 2018
Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte CarloSamuel C Gill, Nathan M Lim, Patrick B Grinaway, et al.
Journal of Computer-Aided Molecular Design|September 28, 2013
Lead optimization mapper: automating free energy calculations for lead optimizationShuai Liu, Yujie Wu, Teng Lin, et al.
Pageof 2