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

Por Bowman, Gregory R.
Publicado em 2012

The Roles of Entropy and Kinetics in Structure Prediction

Por Bowman, Gregory R., Pande, Vijay S.
Publicado em 2009

Protein folded states are kinetic hubs

Por Bowman, Gregory R., Pande, Vijay S.
Publicado em 2010

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

Por Singh, Sukrit, Bowman, Gregory R.
Publicado no J Chem Theory Comput (2017)

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

Por Bowman, Gregory R., Geissler, Phillip L.
Publicado em 2012

Extensive Conformational Heterogeneity within Protein Cores

Por Bowman, Gregory R., Geissler, Phillip L.
Publicado em 2014

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

Por Bowman, Gregory R., Huang, Xuhui, Pande, Vijay S.
Publicado em 2009

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

Por Huang, Xuhui, Bowman, Gregory R., Pande, Vijay S.
Publicado em 2008

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

Por Pande, Vijay S., Beauchamp, Kyle, Bowman, Gregory R.
Publicado em 2010

Quantitative comparison of alternative methods for coarse-graining biological networks

Por Bowman, Gregory R., Meng, Luming, Huang, Xuhui
Publicado em 2013

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

Por Bowman, Gregory R, Huang, Xuhui, Pande, Vijay S
Publicado no Cell Res (2010)

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

Por Bowman, Gregory R., Voelz, Vincent A., Pande, Vijay S.
Publicado em 2011

Taming the complexity of protein folding

Por Bowman, Gregory R., Voelz, Vincent A., Pande, Vijay S.
Publicado em 2011

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

Por Bowman, Gregory R., Ensign, Daniel L., Pande, Vijay S.
Publicado em 2010

Rapid equilibrium sampling initiated from nonequilibrium data

Por Huang, Xuhui, Bowman, Gregory R., Bacallado, Sergio, Pande, Vijay S.
Publicado em 2009

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

Por Voelz, Vincent A., Luttmann, Edgar, Bowman, Gregory R., Pande, Vijay S.
Publicado em 2009

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

Por Bowman, Gregory R., Beauchamp, Kyle A., Boxer, George, Pande, Vijay S.
Publicado em 2009

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

Por Voelz, Vincent A., Bowman, Gregory R., Beauchamp, Kyle, Pande, Vijay S.
Publicado em 2010

A Role for Both Conformational Selection and Induced Fit in Ligand Binding by the LAO Protein

Por Silva, Daniel-Adriano, Bowman, Gregory R., Sosa-Peinado, Alejandro, Huang, Xuhui
Publicado em 2011

Investigating How Peptide Length and a Pathogenic Mutation Modify the Structural Ensemble of Amyloid Beta Monomer

Por Lin, Yu-Shan, Bowman, Gregory R., Beauchamp, Kyle A., Pande, Vijay S.
Publicado em 2012