Inference of Structure Ensembles of Flexible Biomolecules from Sparse, Averaged Data

Mapping the Population of Protein Conformational Energy Sub-States from NMR Dipolar Couplings

(2013) Paul Guerry et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

On the statistical equivalence of restrained-ensemble simulations with the maximum entropy method

(2013) Benoît Roux et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics simulations with replica-averaged structural restraints generate structural ensembles according to the maximum entropy principle

(2013) Andrea Cavalli et al.   JOURNAL OF CHEMICAL PHYSICS

PHAISTOS: A framework for Markov chain Monte Carlo simulation and inference of protein structure

(2013) Wouter Boomsma et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

On the Use of Experimental Observations to Bias Simulated Ensembles

(2012) Jed W. Pitera et al.   Journal of Chemical Theory and Computation

Generative probabilistic models extend the scope of inferential structure determination

(2011) Simon Olsson et al.   JOURNAL OF MAGNETIC RESONANCE

Protein stability, flexibility and function

(2010) Kaare Teilum et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Beyond rotamers: a generative, probabilistic model of side chains in proteins

(2010) Tim Harder et al.   BMC BIOINFORMATICS

Modeling Intrinsically Disordered Proteins with Bayesian Statistics

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

Conformational Space of Flexible Biological Macromolecules from Average Data

(2010) Ivano Bertini et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Potentials of Mean Force for Protein Structure Prediction Vindicated, Formalized and Generalized

(2010) Thomas Hamelryck et al.   PLoS One

Quantitative Description of Backbone Conformational Sampling of Unfolded Proteins at Amino Acid Resolution from NMR Residual Dipolar Couplings

(2009) Gabrielle Nodet et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A generative, probabilistic model of local protein structure

(2008) Wouter Boomsma et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Recognition Dynamics Up to Microseconds Revealed from an RDC-Derived Ubiquitin Ensemble in Solution

(2008) O. F. Lange et al.   SCIENCE