J
Jean-Yves Trosset
Researcher at Cornell University
Publications - 23
Citations - 1003
Jean-Yves Trosset is an academic researcher from Cornell University. The author has contributed to research in topics: Binding site & Synthetic biology. The author has an hindex of 16, co-authored 23 publications receiving 938 citations. Previous affiliations of Jean-Yves Trosset include Pfizer & University of California, Irvine.
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Journal ArticleDOI
Inhibition of protein–protein interactions: The discovery of druglike β-catenin inhibitors by combining virtual and biophysical screening
Jean-Yves Trosset,Claudio Dalvit,Stefan Knapp,Marina Fasolini,Marina Veronesi,Sergio Mantegani,Laura Gianellini,Cornel Catana,Michael Sundström,Pieter F. W. Stouten,Jürgen K. Moll +10 more
TL;DR: The interaction between β‐catenin and Tcf family members is crucial for the Wnt signal transduction pathway, which is commonly mutated in cancer, and inhibiting such interactions using low molecular weight inhibitors is a challenge.
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Assessment of docking poses: interactions-based accuracy classification (IBAC) versus crystal structure deviations.
Romano T. Kroemer,Anna Vulpetti,Joseph J. McDonald,Douglas C. Rohrer,Jean-Yves Trosset,Fabrizio Giordanetto,Simona Cotesta,Colin McMartin,Mats Kihlen,Pieter F. W. Stouten +9 more
TL;DR: Six docking programs were evaluated in terms of their ability to reproduce experimentally observed binding modes (poses) of small-molecule ligands to macromolecular targets and the IBAC proved to be a more meaningful measure of docking accuracy in all these cases.
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Structure of the interferon-receptor complex determined by distance constraints from double-mutant cycles and flexible docking.
TL;DR: The structure of the IFN-α2–ifnar2 complex was generated with a docking procedure, using nuclear Overhauser effect-like distance constraints obtained from double-mutant cycle experiments, and showed an almost complete superposition with the ones determined from mutagenesis studies.
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PRODOCK: Software Package for Protein Modeling and Docking
TL;DR: This article includes some techniques and simulation tools that significantly improve the efficiency of flexible docking simulations, in particular forward/backward polypeptide chain generation.
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Reaching the global minimum in docking simulations: a Monte Carlo energy minimization approach using Bezier splines.
TL;DR: A Monte Carlo with energy-minimization method has been incorporated into a new ECEPP/3 docking program and shows that the global minimum of the energy function was reached in every independent run within less than 3 min of time on an IBM RX 6000 computer.