Determining protein structures by combining semireliable data with atomistic physical models by Bayesian inference

Bayesian inference of conformational state populations from computational models and sparse experimental observables

(2014) Vincent A. Voelz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Folding Simulations for Proteins with Diverse Topologies Are Accessible in Days with a Physics-Based Force Field and Implicit Solvent

(2014) Hai Nguyen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural Refinement from Restrained-Ensemble Simulations Based on EPR/DEER Data: Application to T4 Lysozyme

(2013) Shahidul M. Islam et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Assessing the utility of coevolution-based residue-residue contact predictions in a sequence- and structure-rich era

(2013) H. Kamisetty et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Atomic-level description of ubiquitin folding

(2013) S. Piana et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Integrative Structural Biology

(2013) A. B. Ward et al.   SCIENCE

OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation

(2012) Peter Eastman et al.   Journal of Chemical Theory and Computation

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles

(2012) Robert B. Best et al.   Journal of Chemical Theory and Computation

Protein structure prediction from sequence variation

(2012) Debora S Marks et al.   NATURE BIOTECHNOLOGY

The Protein-Folding Problem, 50 Years On

(2012) K. A. Dill et al.   SCIENCE

PSICOV: precise structural contact prediction using sparse inverse covariance estimation on large multiple sequence alignments

(2011) David T. Jones et al.   BIOINFORMATICS

A Proton-Detected 4D Solid-State NMR Experiment for Protein Structure Determination

(2011) Matthias Huber et al.   CHEMPHYSCHEM

Protein 3D Structure Computed from Evolutionary Sequence Variation

(2011) Debora S. Marks et al.   PLoS One

How Fast-Folding Proteins Fold

(2011) K. Lindorff-Larsen et al.   SCIENCE

RosettaEPR: An integrated tool for protein structure determination from sparse EPR data

(2010) Stephanie J. Hirst et al.   JOURNAL OF STRUCTURAL BIOLOGY

Modeling Intrinsically Disordered Proteins with Bayesian Statistics

(2010) Charles K. Fisher et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

TALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shifts

(2009) Yang Shen et al.   JOURNAL OF BIOMOLECULAR NMR

ISD: a software package for Bayesian NMR structure calculation

(2008) W. Rieping et al.   BIOINFORMATICS

Consistent blind protein structure generation from NMR chemical shift data

(2008) Y. Shen et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

De Novo High-Resolution Protein Structure Determination from Sparse Spin-Labeling EPR Data

(2008) Nathan Alexander et al.   STRUCTURE