Showing results (1-10 of 26) with videos related to
Sort By:
Pageof 3
Biorxiv : the Preprint Server for Biology|January 7, 2025
Structural and energetic analysis of stabilizing indel mutationsYulia M Gutierrez, Gabriel J RocklinProtein Science : a Publication of the Protein Society|January 20, 2026
Evaluating zero-shot prediction of monomeric protein design success by AlphaFold, ESMFold, and ProteinMPNNMario Garcia, Sugyan M Dixit, Gabriel J RocklinJournal of Chemical Theory and Computation|September 10, 2013
Calculating the sensitivity and robustness of binding free energy calculations to force field parametersGabriel J Rocklin, David L Mobley, Ken A DillThe Journal of Chemical Physics|March 8, 2013
Separated topologies--a method for relative binding free energy calculations using orientational restraintsGabriel J Rocklin, David L Mobley, Ken A DillNature Communications|December 24, 2025
Stable de novo protein design via joint conformational landscape and sequence optimizationYehlin Cho, Justas Dauparas, Kotaro Tsuboyama, et al.The Journal of Chemical Physics|December 11, 2013
Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: an accurate correction scheme for electrostatic finite-size effectsGabriel J Rocklin, David L Mobley, Ken A Dill, et al.Proceedings of the National Academy of Sciences of the United States of America|May 7, 2009
Docking for fragment inhibitors of AmpC beta-lactamaseDenise G Teotico, Kerim Babaoglu, Gabriel J Rocklin, et al.Journal of Molecular Biology|September 29, 2009
Predicting ligand binding affinity with alchemical free energy methods in a polar model binding siteSarah E Boyce, David L Mobley, Gabriel J Rocklin, 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.Biorxiv : the Preprint Server for Biology|November 26, 2025
Global Analysis of Aggregation Determinants in Small Protein DomainsCydney M Martell, Kamil K Gebis, Han My Van, et al.Pageof 3