The protein amide 1HN chemical shift temperature coefficient reflects thermal expansion of the N–H···O=C hydrogen bond

Random coil chemical shift for intrinsically disordered proteins: effects of temperature and pH

(2011) Magnus Kjaergaard et al.   JOURNAL OF BIOMOLECULAR NMR

Amide temperature coefficients in the protein G B1 domain

(2011) Jennifer H. Tomlinson et al.   JOURNAL OF BIOMOLECULAR NMR

SPARTA+: a modest improvement in empirical NMR chemical shift prediction by means of an artificial neural network

(2010) Yang Shen et al.   JOURNAL OF BIOMOLECULAR NMR

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

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

Improved accuracy of 15N–1H scalar and residual dipolar couplings from gradient-enhanced IPAP-HSQC experiments on protonated proteins

(2009) Lishan Yao et al.   JOURNAL OF BIOMOLECULAR NMR

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

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

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

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

A temperature predictor for parallel tempering simulations

(2008) Alexandra Patriksson et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quantum chemical 13C  chemical shift calculations for protein NMR structure determination, refinement, and validation

(2008) J. A. Vila et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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