Schwantes CR - Search Results

1

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: schwantes cr. 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.

2

Perspective: Markov models for long-timescale biomolecular dynamics.

Schwantes CR, McGibbon RT, Pande VS. Schwantes CR, et al. 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. Among authors: schwantes cr. 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

Complex pathways in folding of protein G explored by simulation and experiment.

Lapidus LJ, Acharya S, Schwantes CR, Wu L, Shukla D, King M, DeCamp SJ, Pande VS. Lapidus LJ, et al. Among authors: schwantes cr. Biophys J. 2014 Aug 19;107(4):947-55. doi: 10.1016/j.bpj.2014.06.037. Biophys J. 2014. PMID: 25140430 Free PMC article.

5

Dynamical phase transitions reveal amyloid-like states on protein folding landscapes.

Weber JK, Jack RL, Schwantes CR, Pande VS. Weber JK, et al. Among authors: schwantes cr. Biophys J. 2014 Aug 19;107(4):974-82. doi: 10.1016/j.bpj.2014.06.046. Biophys J. 2014. PMID: 25140433 Free PMC article.

6

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. Among authors: schwantes cr. 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.

7

Modeling molecular kinetics with tICA and the kernel trick.

Schwantes CR, Pande VS. Schwantes CR, et al. J Chem Theory Comput. 2015 Feb 10;11(2):600-8. doi: 10.1021/ct5007357. J Chem Theory Comput. 2015. PMID: 26528090 Free PMC article.

8

Markov State Models and tICA Reveal a Nonnative Folding Nucleus in Simulations of NuG2.

Schwantes CR, Shukla D, Pande VS. Schwantes CR, et al. Biophys J. 2016 Apr 26;110(8):1716-1719. doi: 10.1016/j.bpj.2016.03.026. Biophys J. 2016. PMID: 27119632 Free PMC article.

9

Improvements in Markov State Model Construction Reveal Many Non-Native Interactions in the Folding of NTL9.

Schwantes CR, Pande VS. Schwantes CR, et al. J Chem Theory Comput. 2013 Apr 9;9(4):2000-2009. doi: 10.1021/ct300878a. J Chem Theory Comput. 2013. PMID: 23750122 Free PMC article.

10

Probing the origins of two-state folding.

Lane TJ, Schwantes CR, Beauchamp KA, Pande VS. Lane TJ, et al. Among authors: schwantes cr. J Chem Phys. 2013 Oct 14;139(14):145104. doi: 10.1063/1.4823502. J Chem Phys. 2013. PMID: 24116650 Free PMC article.

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