Protein backbone and sidechain torsion angles predicted from NMR chemical shifts using artificial neural networks

PPM: a side-chain and backbone chemical shift predictor for the assessment of protein conformational ensembles

(2012) Da-Wei Li et al.   JOURNAL OF BIOMOLECULAR NMR

Identification of helix capping and β-turn motifs from NMR chemical shifts

(2012) Yang Shen et al.   JOURNAL OF BIOMOLECULAR NMR

Transforming between discrete and continuous angle distribution models: application to protein χ1 torsions

(2012) Jürgen M. Schmidt   JOURNAL OF BIOMOLECULAR NMR

The Protein Data Bank at 40: Reflecting on the Past to Prepare for the Future

(2012) Helen M. Berman et al.   STRUCTURE

Structure-based prediction of methyl chemical shifts in proteins

(2011) Aleksandr B. Sahakyan et al.   JOURNAL OF BIOMOLECULAR NMR

SHIFTX2: significantly improved protein chemical shift prediction

(2011) Beomsoo Han et al.   JOURNAL OF BIOMOLECULAR NMR

Chemical shift prediction for protein structure calculation and quality assessment using an optimally parameterized force field

(2011) Jakob T. Nielsen et al.   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

The structure of human ubiquitin in 2-methyl-2,4-pentanediol: A new conformational switch

(2011) Kuo Ying Huang et al.   PROTEIN SCIENCE

CASP9 results compared to those of previous casp experiments

(2011) Andriy Kryshtafovych et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

A Smoothed Backbone-Dependent Rotamer Library for Proteins Derived from Adaptive Kernel Density Estimates and Regressions

(2011) Maxim V. Shapovalov et al.   STRUCTURE

Sequential nearest-neighbor effects on computed 13Cα chemical shifts

(2010) Jorge A. Vila 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

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

SimShiftDB; local conformational restraints derived from chemical shift similarity searches on a large synthetic database

(2009) Simon W. Ginzinger 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

DANGLE: A Bayesian inferential method for predicting protein backbone dihedral angles and secondary structure

(2009) Ming-Sin Cheung et al.   JOURNAL OF MAGNETIC RESONANCE

Certification of Molecular Dynamics Trajectories with NMR Chemical Shifts

(2009) Da-Wei Li et al.   Journal of Physical Chemistry Letters

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

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

Quantum-mechanics-derived 13C  chemical shift server (CheShift) for protein structure validation

(2009) J. A. Vila et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

BioMagResBank (BMRB) as a partner in the Worldwide Protein Data Bank (wwPDB): new policies affecting biomolecular NMR depositions

(2008) John L. Markley et al.   JOURNAL OF BIOMOLECULAR NMR

De novo protein structure generation from incomplete chemical shift assignments

(2008) Yang Shen et al.   JOURNAL OF BIOMOLECULAR NMR

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