Michael R. Shirts

Получаване на мой собствен потребителски профил

Позовавания

	Всички	От 2020
Позовавания	22994	9661
h-индекс	51	36
i10-индекс	88	72

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58 статии

7 статии

налични

неналични

Въз основа на изисквания при финансирането

Съавтори

David MobleyProfessor, University of California, IrvineПотвърден имейл адрес: uci.edu
Vijay PandeAndreessen Horowitz, Stanford UniversityПотвърден имейл адрес: stanford.edu
John D. ChoderaMemorial Sloan-Kettering Cancer CenterПотвърден имейл адрес: mskcc.org
Michael K GilsonUniversity of California San DiegoПотвърден имейл адрес: health.ucsd.edu
Christopher D. SnowProfessor of Chemical and Biological Engineering, Colorado State UniversityПотвърден имейл адрес: colostate.edu
Peter KassonProfessor, Georgia Tech and University of Virginia and Wallenberg Academy Fellow, Uppsala UniversityПотвърден имейл адрес: gatech.edu
Lee-Ping WangDepartment of Chemistry, UC DavisПотвърден имейл адрес: ucdavis.edu
Roland SchulzIntelПотвърден имейл адрес: rschulz.eu
Per LarssonAssociate Professor, Uppsala UniversityПотвърден имейл адрес: farmaci.uu.se
David van der SpoelProfessor of Biology, Uppsala UniversityПотвърден имейл адрес: xray.bmc.uu.se
Pär BjelkmarПотвърден имейл адрес: inera.se
Erik LindahlProfessor of Biophysics, Linköping UniversityПотвърден имейл адрес: liu.se
Szilárd PállResearcher, PDC KTH Royal Institute of TechnologyПотвърден имейл адрес: kth.se
Berk HessKTH Royal Institute of Technology, Stockholm, Sweden; Science for Life Laboratory, Stockholm, SwedenПотвърден имейл адрес: scilifelab.se
Rossen ApostolovResearcher, KTH Royal Institute of TechnologyПотвърден имейл адрес: kth.se
Caitlin C. BannanOpenEye ScientificПотвърден имейл адрес: eyesopen.com
Bojan ZagrovicПотвърден имейл адрес: univie.ac.at
Andrea RizziUniversita and INFN PisaПотвърден имейл адрес: unipi.it
Simon BoothroydGenesis TherapeuticsПотвърден имейл адрес: genesistherapeutics.ai
Kyle A. BeauchampStanford, Tempus,Потвърден имейл адрес: tempus.com

Следене

Michael R. Shirts

Други именаMichael Shirts

Professor of Chemical and Biological Engineering, University of Colorado Boulder

Потвърден имейл адрес: colorado.edu - Начална страница

Computational Chemistry Computational Biology Chemical Engineering Biophysics


Заглавие Сортиране по цитати Сортиране по година Сортиране по заглавие	Позовавания Позовавания	Година
GROMACS 4.5: A high-throughput and highly parallel open source molecular simulation toolkit S Pronk, S Páll, R Schulz, P Larsson, P Bjelkmar, R Apostolov, MR Shirts, ... Bioinformatics, 2013	7770	2013
Statistically optimal analysis of samples from multiple equilibrium states MR Shirts, JD Chodera The Journal of chemical physics 129, 124105, 2008	1950	2008
Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins MR Shirts, JW Pitera, WC Swope, VS Pande The Journal of chemical physics 119 (11), 5740-5761, 2003	775	2003
OpenMM 4: a reusable, extensible, hardware independent library for high performance molecular simulation P Eastman, MS Friedrichs, JD Chodera, RJ Radmer, CM Bruns, JP Ku, ... Journal of chemical theory and computation 9 (1), 461-469, 2012	741	2012
Screen savers of the world unite! M Shirts, VS Pande Science 290 (5498), 1903-1904, 2000	736	2000
Alchemical free energy methods for drug discovery: progress and challenges JD Chodera, DL Mobley, MR Shirts, RW Dixon, K Branson, VS Pande Current opinion in structural biology 21 (2), 150-160, 2011	647	2011
Equilibrium Free Energies from Nonequilibrium Measurements<? format?> Using Maximum-Likelihood Methods MR Shirts, E Bair, G Hooker, VS Pande Physical review letters 91 (14), 140601, 2003	563	2003
Guidelines for the analysis of free energy calculations PV Klimovich, MR Shirts, DL Mobley Journal of computer-aided molecular design 29 (5), 397-411, 2015	539	2015
Solvation free energies of amino acid side chain analogs for common molecular mechanics water models MR Shirts, VS Pande The Journal of chemical physics 122, 134508, 2005	502	2005
Atomistic protein folding simulations on the submillisecond time scale using worldwide distributed computing VS Pande, I Baker, J Chapman, SP Elmer, S Khaliq, SM Larson, YM Rhee, ... Biopolymers: Original Research on Biomolecules 68 (1), 91-109, 2003	489	2003
Comparison of efficiency and bias of free energies computed by exponential averaging, the Bennett acceptance ratio, and thermodynamic integration MR Shirts, VS Pande The Journal of chemical physics 122 (14), 144107-144107-16, 2005	444	2005
Effects of temperature control algorithms on transport properties and kinetics in molecular dynamics simulations JE Basconi, MR Shirts Journal of chemical theory and computation 9 (7), 2887-2899, 2013	439	2013
Folding@ Home and Genome@ Home: Using distributed computing to tackle previously intractable problems in computational biology SM Larson, CD Snow, M Shirts, VS Pande arXiv preprint arXiv:0901.0866, 2009	432	2009
Small molecule hydration free energies in explicit solvent: an extensive test of fixed-charge atomistic simulations DL Mobley, CI Bayly, MD Cooper, MR Shirts, KA Dill Journal of chemical theory and computation 5 (2), 350-358, 2009	401	2009
Simulation of folding of a small alpha-helical protein in atomistic detail using worldwide-distributed computing B Zagrovic, CD Snow, MR Shirts, VS Pande Journal of molecular biology 323 (5), 927-937, 2002	388	2002
Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset MR Shirts, C Klein, JM Swails, J Yin, MK Gilson, DL Mobley, DA Case, ... Journal of Computer-Aided Molecular Design 31 (1), 147-161, 2017	302	2017
Enhanced sampling methods for molecular dynamics simulations J Hénin, T Lelièvre, MR Shirts, O Valsson, L Delemotte arXiv preprint arXiv:2202.04164, 2022	279	2022
Alchemical free energy calculations: Ready for prime time? MR Shirts, DL Mobley, JD Chodera Annual Reports in Computational Chemistry 3, 41-59, 2007	270	2007
Best practices for alchemical free energy calculations [article v1. 0] ASJS Mey, BK Allen, HEB Macdonald, JD Chodera, DF Hahn, M Kuhn, ... Living journal of computational molecular science 2 (1), 18378, 2020	256	2020
Accurate and efficient corrections for missing dispersion interactions in molecular simulations MR Shirts, DL Mobley, JD Chodera, VS Pande The journal of physical chemistry B 111 (45), 13052-13063, 2007	249	2007

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