Výsledky vyhledávání - "Keith Uplinger"

Massive-Scale Binding Free Energy Simulations of HIV Integrase Complexes Using Asynchronous Replica Exchange Framework Implemented on the IBM WCG Distributed Network

Autor: Stefano Forli, Keith Uplinger, Ronald M. Levy, Arthur J. Olson, William F. Flynn, Jonathan Armstrong, Junchao Xia, Emilio Gallicchio

To perform massive-scale replica exchange molecular dynamics (REMD) simulations for calculating binding free energies of protein-ligand complexes, we implemented the asynchronous replica exchange (AsyncRE) framework of the binding energy distribution

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a122cff7293c0c3f1794cbe908a113d6
https://europepmc.org/articles/PMC6496938/

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The Proteome Folding Project: Proteome-scale prediction of structure and function

Autor: Patrick Winters, Viktors Berstis, Kevin Drew, Trisha N. Davis, Keith Uplinger, Richard Bonneau, David R. Goodlett, Bill Bovermann, Jonathan Armstrong, Michael Riffle, Lars Malmström, Dennis Shasha, Erik Schweighofer, Glenn L. Butterfoss

The incompleteness of proteome structure and function annotation is a critical problem for biologists and, in particular, severely limits interpretation of high-throughput and next-generation experiments. We have developed a proteome annotation pipel

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::93ea959e9ec6a799d24012deec769340
https://europepmc.org/articles/PMC3205581/

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