M
Manuel Rueda
Researcher at University of Montana
Publications - 46
Citations - 2857
Manuel Rueda is an academic researcher from University of Montana. The author has contributed to research in topics: Virtual screening & Docking (molecular). The author has an hindex of 25, co-authored 43 publications receiving 2625 citations. Previous affiliations of Manuel Rueda include Barcelona Supercomputing Center & University of California, San Diego.
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Journal ArticleDOI
Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment
Irina Kufareva,Manuel Rueda,Vsevolod Katritch,Vsevolod Katritch,Raymond C. Stevens,Ruben Abagyan,Ruben Abagyan +6 more
TL;DR: The community-wide GPCR Dock assessment is conducted to evaluate the status of molecular modeling and ligand docking for human G protein-coupled receptors and provides guidance for modeling and crystallographic communities in method development and target selection for further expansion of the structural coverage of the G PCR universe.
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A consensus view of protein dynamics.
Manuel Rueda,Carles Ferrer-Costa,Tim Meyer,Tim Meyer,Alberto Perez,Jordi Camps,Josep Lluís Gelpí,Josep Lluís Gelpí,Modesto Orozco +8 more
TL;DR: A detailed analysis of the massive database of trajectories allowed us to obtain a robust-consensus picture of protein dynamics in aqueous solution.
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Whole-Genome Sequencing of a Healthy Aging Cohort
Galina Erikson,Dale L. Bodian,Manuel Rueda,Bhuvan Molparia,Erick R. Scott,Ashley A. Scott-Van Zeeland,Sarah E. Topol,Nathan E. Wineinger,John E. Niederhuber,John E. Niederhuber,Eric J. Topol,Ali Torkamani +11 more
TL;DR: The results suggest healthy aging is an overlapping but distinct phenotype from exceptional longevity that may be enriched with disease-protective genetic factors, and suggests protection against cognitive decline is a genetic component of healthy aging.
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Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solutionDedicated to the memory of our friend and distinguished scientist Professor Peter Kollman.
Semen A. Trygubenko,Tetyana V. Bogdan,Manuel Rueda,Modesto Orozco,F. Javier Luque,Ji Poner,Petr Slav Ek,Pavel Hobza +7 more
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Recipes for the selection of experimental protein conformations for virtual screening.
TL;DR: It is found that the conformers cocrystallized with the largest ligands displayed high selectivity for binders, and when combined in ensembles they consistently provided better results than randomly chosen protein conformations.