Energy landscapes of a hairpin peptide including NMR chemical shift restraints

Protein structure prediction using global optimization by basin-hopping with NMR shift restraints

(2013) Falk Hoffmann et al.   JOURNAL OF CHEMICAL PHYSICS

A conformational factorisation approach for estimating the binding free energies of macromolecules

(2013) Kenji Mochizuki et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Interpreting protein chemical shift data

(2010) David S. Wishart   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

Using NMR Chemical Shifts as Structural Restraints in Molecular Dynamics Simulations of Proteins

(2010) Paul Robustelli et al.   STRUCTURE

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Folding of Small Proteins by Monte Carlo Simulations with Chemical Shift Restraints without the Use of Molecular Fragment Replacement or Structural Homology

(2009) Paul Robustelli et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Fast and Accurate Predictions of Protein NMR Chemical Shifts from Interatomic Distances

(2009) Kai J. Kohlhoff et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

CS23D: a web server for rapid protein structure generation using NMR chemical shifts and sequence data

(2008) D. S. Wishart et al.   NUCLEIC ACIDS RESEARCH

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

FACTS: Fast analytical continuum treatment of solvation

(2007) Urs Haberthür et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY