McGibbon RT - Search Results

1

MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories.

McGibbon RT, Beauchamp KA, Harrigan MP, Klein C, Swails JM, Hernández CX, Schwantes CR, Wang LP, Lane TJ, Pande VS. McGibbon RT, et al. Biophys J. 2015 Oct 20;109(8):1528-32. doi: 10.1016/j.bpj.2015.08.015. Biophys J. 2015. PMID: 26488642 Free PMC article.

2

Perspective: Markov models for long-timescale biomolecular dynamics.

Schwantes CR, McGibbon RT, Pande VS. Schwantes CR, et al. Among authors: mcgibbon rt. J Chem Phys. 2014 Sep 7;141(9):090901. doi: 10.1063/1.4895044. J Chem Phys. 2014. PMID: 25194354 Free PMC article.

3

Statistical model selection for Markov models of biomolecular dynamics.

McGibbon RT, Schwantes CR, Pande VS. McGibbon RT, et al. J Phys Chem B. 2014 Jun 19;118(24):6475-81. doi: 10.1021/jp411822r. Epub 2014 Apr 25. J Phys Chem B. 2014. PMID: 24738580

4

Efficient maximum likelihood parameterization of continuous-time Markov processes.

McGibbon RT, Pande VS. McGibbon RT, et al. J Chem Phys. 2015 Jul 21;143(3):034109. doi: 10.1063/1.4926516. J Chem Phys. 2015. PMID: 26203016 Free PMC article.

5

MSMBuilder: Statistical Models for Biomolecular Dynamics.

Harrigan MP, Sultan MM, Hernández CX, Husic BE, Eastman P, Schwantes CR, Beauchamp KA, McGibbon RT, Pande VS. Harrigan MP, et al. Among authors: mcgibbon rt. Biophys J. 2017 Jan 10;112(1):10-15. doi: 10.1016/j.bpj.2016.10.042. Biophys J. 2017. PMID: 28076801 Free PMC article.

6

OpenMM 7: Rapid development of high performance algorithms for molecular dynamics.

Eastman P, Swails J, Chodera JD, McGibbon RT, Zhao Y, Beauchamp KA, Wang LP, Simmonett AC, Harrigan MP, Stern CD, Wiewiora RP, Brooks BR, Pande VS. Eastman P, et al. Among authors: mcgibbon rt. PLoS Comput Biol. 2017 Jul 26;13(7):e1005659. doi: 10.1371/journal.pcbi.1005659. eCollection 2017 Jul. PLoS Comput Biol. 2017. PMID: 28746339 Free PMC article.

7

Variational cross-validation of slow dynamical modes in molecular kinetics.

McGibbon RT, Pande VS. McGibbon RT, et al. J Chem Phys. 2015 Mar 28;142(12):124105. doi: 10.1063/1.4916292. J Chem Phys. 2015. PMID: 25833563 Free PMC article.

8

Learning Kinetic Distance Metrics for Markov State Models of Protein Conformational Dynamics.

McGibbon RT, Pande VS. McGibbon RT, et al. J Chem Theory Comput. 2013 Jul 9;9(7):2900-6. doi: 10.1021/ct400132h. Epub 2013 Jun 6. J Chem Theory Comput. 2013. PMID: 26583974

9

Automated Discovery and Refinement of Reactive Molecular Dynamics Pathways.

Wang LP, McGibbon RT, Pande VS, Martinez TJ. Wang LP, et al. Among authors: mcgibbon rt. J Chem Theory Comput. 2016 Feb 9;12(2):638-49. doi: 10.1021/acs.jctc.5b00830. Epub 2016 Jan 19. J Chem Theory Comput. 2016. PMID: 26683346 Free article.

10

Optimized parameter selection reveals trends in Markov state models for protein folding.

Husic BE, McGibbon RT, Sultan MM, Pande VS. Husic BE, et al. Among authors: mcgibbon rt. J Chem Phys. 2016 Nov 21;145(19):194103. doi: 10.1063/1.4967809. J Chem Phys. 2016. PMID: 27875868 Free PMC article.

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