Improved coarse-graining of Markov state models via explicit consideration of statistical uncertainty

Tekijä Bowman, Gregory R.
Julkaistu 2012

The Roles of Entropy and Kinetics in Structure Prediction

Tekijä Bowman, Gregory R., Pande, Vijay S.
Julkaistu 2009

Protein folded states are kinetic hubs

Tekijä Bowman, Gregory R., Pande, Vijay S.
Julkaistu 2010

Quantifying allosteric communication via both concerted structural changes and conformational disorder with CARDS

Tekijä Singh, Sukrit, Bowman, Gregory R.
Julkaisussa J Chem Theory Comput (2017)

Equilibrium fluctuations of a single folded protein reveal a multitude of potential cryptic allosteric sites

Tekijä Bowman, Gregory R., Geissler, Phillip L.
Julkaistu 2012

Extensive Conformational Heterogeneity within Protein Cores

Tekijä Bowman, Gregory R., Geissler, Phillip L.
Julkaistu 2014

Using generalized ensemble simulations and Markov state models to identify conformational states

Tekijä Bowman, Gregory R., Huang, Xuhui, Pande, Vijay S.
Julkaistu 2009

Convergence of folding free energy landscapes via application of enhanced sampling methods in a distributed computing environment

Tekijä Huang, Xuhui, Bowman, Gregory R., Pande, Vijay S.
Julkaistu 2008

Everything you wanted to know about Markov State Models but were afraid to ask

Tekijä Pande, Vijay S., Beauchamp, Kyle, Bowman, Gregory R.
Julkaistu 2010

Quantitative comparison of alternative methods for coarse-graining biological networks

Tekijä Bowman, Gregory R., Meng, Luming, Huang, Xuhui
Julkaistu 2013

Network models for molecular kinetics and their initial applications to human health

Tekijä Bowman, Gregory R, Huang, Xuhui, Pande, Vijay S
Julkaisussa Cell Res (2010)

Atomistic folding simulations of the five helix bundle protein λ(6–85)

Tekijä Bowman, Gregory R., Voelz, Vincent A., Pande, Vijay S.
Julkaistu 2011

Taming the complexity of protein folding

Tekijä Bowman, Gregory R., Voelz, Vincent A., Pande, Vijay S.
Julkaistu 2011

Enhanced modeling via network theory: Adaptive sampling of Markov state models

Tekijä Bowman, Gregory R., Ensign, Daniel L., Pande, Vijay S.
Julkaistu 2010

Rapid equilibrium sampling initiated from nonequilibrium data

Tekijä Huang, Xuhui, Bowman, Gregory R., Bacallado, Sergio, Pande, Vijay S.
Julkaistu 2009

Advanced methods for accessing protein shape-shifting present new therapeutic opportunities

Tekijä Knoverek, Catherine R., Amarasinghe, Gaya K., Bowman, Gregory R.
Julkaisussa Trends Biochem Sci (2018)

Probing the Nanosecond Dynamics of a Designed Three-Stranded Beta-Sheet with a Massively Parallel Molecular Dynamics Simulation

Tekijä Voelz, Vincent A., Luttmann, Edgar, Bowman, Gregory R., Pande, Vijay S.
Julkaistu 2009

Progress and challenges in the automated construction of Markov state models for full protein systems

Tekijä Bowman, Gregory R., Beauchamp, Kyle A., Boxer, George, Pande, Vijay S.
Julkaistu 2009

Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1–39)

Tekijä Voelz, Vincent A., Bowman, Gregory R., Beauchamp, Kyle, Pande, Vijay S.
Julkaistu 2010

Simulation of spontaneous G protein activation reveals a new intermediate driving GDP unbinding

Tekijä Sun, Xianqiang, Singh, Sukrit, Blumer, Kendall J, Bowman, Gregory R
Julkaisussa eLife (2018)