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Journal of Chemical Theory and Computation|December 30, 2017
Fast Calculation of Protein-Protein Binding Free Energies Using Umbrella Sampling with a Coarse-Grained ModelJagdish Suresh Patel, F Marty YtrebergJournal of Chemical Theory and Computation|March 12, 2021
Implementing and Assessing an Alchemical Method for Calculating Protein-Protein Binding Free EnergyDharmeshkumar Patel, Jagdish Suresh Patel, F Marty YtrebergJournal of Chemical Theory and Computation|October 18, 2011
Insights into Ligand-Protein Binding from Local Mechanical ResponseJagdish Suresh Patel, Davide Branduardi, Matteo Masetti, et al.Journal of Chemical Information and Modeling|January 21, 2014
Steered molecular dynamics simulations for studying protein-ligand interaction in cyclin-dependent kinase 5Jagdish Suresh Patel, Anna Berteotti, Simone Ronsisvalle, et al.BMC Bioinformatics|November 12, 2023
Statistical modeling to quantify the uncertainty of FoldX-predicted protein folding and binding stabilityYesol Sapozhnikov, Jagdish Suresh Patel, F Marty Ytreberg, et al.Biorxiv : the Preprint Server for Biology|October 10, 2024
Leveraging neural networks to correct FoldX free energy estimatesJonathan E Barnes, L América Chi, F Marty Ytreberg, et al.Scientific Reports|October 4, 2024
Exploring the ability of the MD+FoldX method to predict SARS-CoV-2 antibody escape mutations using large-scale dataL América Chi, Jonathan E Barnes, Jagdish Suresh Patel, et al.Biorxiv : the Preprint Server for Biology|June 3, 2024
Exploring the ability of the MD+FoldX method to predict SARS-CoV-2 antibody escape mutations using large-scale dataL América Chi, Jonathan E Barnes, Jagdish Suresh Patel, et al.Plos One|March 22, 2019
Expanding the watch list for potential Ebola virus antibody escape mutationsJagdish Suresh Patel, Caleb J Quates, Erin L Johnson, et al.Plos Computational Biology|January 25, 2018
Predicting peak spectral sensitivities of vertebrate cone visual pigments using atomistic molecular simulationsJagdish Suresh Patel, Celeste J Brown, F Marty Ytreberg, et al.Pageof 4