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Proteins|March 8, 2016
Protein side chain conformation predictions with an MMGBSA energy functionThomas Gaillard, Nicolas Panel, Thomas SimonsonThe Journal of Chemical Physics|August 24, 2018
Adaptive landscape flattening in amino acid sequence space for the computational design of protein:peptide bindingFrancesco Villa, Nicolas Panel, Xingyu Chen, et al.Journal of Computational Chemistry|May 24, 2014
Pairwise decomposition of an MMGBSA energy function for computational protein designThomas Gaillard, Thomas SimonsonJournal of Chemical Theory and Computation|September 9, 2017
Full Protein Sequence Redesign with an MMGBSA Energy FunctionThomas Gaillard, Thomas SimonsonMethods in Molecular Biology (Clifton, N.J.)|November 1, 2025
Transition State-Based Computational Enzyme DesignThomas Gaillard, Thomas SimonsonBiophysical Journal|March 15, 2018
Accurate PDZ/Peptide Binding Specificity with Additive and Polarizable Free Energy SimulationsNicolas Panel, Francesco Villa, Ernesto J Fuentes, et al.The Journal of Physical Chemistry. A|November 10, 2020
Physics-Based Computational Protein Design: An UpdateDavid Mignon, Karen Druart, Eleni Michael, et al.Methods in Molecular Biology (Clifton, N.J.)|May 20, 2021
Computational Design of PDZ-Peptide BindingNicolas Panel, Francesco Villa, Vaitea Opuu, et al.Frontiers in Molecular Biosciences|October 12, 2017
A Simple PB/LIE Free Energy Function Accurately Predicts the Peptide Binding Specificity of the Tiam1 PDZ DomainNicolas Panel, Young Joo Sun, Ernesto J Fuentes, et al.Journal of Chemical Theory and Computation|April 11, 2017
Computational Design of the Tiam1 PDZ Domain and Its Ligand BindingDavid Mignon, Nicolas Panel, Xingyu Chen, et al.Pageof 16