Efficient sampling of protein conformational space using fast loop building and batch minimization on highly parallel computers

Determination of the Structures of Symmetric Protein Oligomers from NMR Chemical Shifts and Residual Dipolar Couplings

(2011) Nikolaos G. Sgourakis et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Algorithm discovery by protein folding game players

(2011) F. Khatib et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Alternate States of Proteins Revealed by Detailed Energy Landscape Mapping

(2010) Michael D. Tyka et al.   JOURNAL OF MOLECULAR BIOLOGY

Refinement of Protein Structures into Low-Resolution Density Maps Using Rosetta

(2009) Frank DiMaio et al.   JOURNAL OF MOLECULAR BIOLOGY

Sub-angstrom accuracy in protein loop reconstruction by robotics-inspired conformational sampling

(2009) Daniel J Mandell et al.   NATURE METHODS

Refined kinetic transition networks for the GB1 hairpin peptide

(2009) Joanne M. Carr et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structure prediction for CASP8 with all-atom refinement using Rosetta

(2009) Srivatsan Raman et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

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