Xplor-NIH for molecular structure determination from NMR and other data sources

High quality NMR structures: a new force field with implicit water and membrane solvation for Xplor-NIH

(2016) Ye Tian et al.   JOURNAL OF BIOMOLECULAR NMR

Direct Investigation of Slow Correlated Dynamics in Proteins via Dipolar Interactions

(2016) R. Bryn Fenwick et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Improving NMR Structures of RNA

(2016) Guillermo A. Bermejo et al.   STRUCTURE

A Practical Implicit Membrane Potential for NMR Structure Calculations of Membrane Proteins

(2015) Ye Tian et al.   BIOPHYSICAL JOURNAL

NMR Exchange Format: a unified and open standard for representation of NMR restraint data

(2015) Aleksandras Gutmanas et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

NMR Exchange Format: a unified and open standard for representation of NMR restraint data

(2015) Aleksandras Gutmanas et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

A practical implicit solvent potential for NMR structure calculation

(2014) Ye Tian et al.   JOURNAL OF MAGNETIC RESONANCE

A Tensor-Free Method for the Structural and Dynamical Refinement of Proteins using Residual Dipolar Couplings

(2014) Carlo Camilloni et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Using small angle solution scattering data in Xplor-NIH structure calculations

(2014) Charles D. Schwieters et al.   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

Structure and Dynamics of Full-Length HIV-1 Capsid Protein in Solution

(2013) Lalit Deshmukh et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Efficient Modeling of Symmetric Protein Aggregates from NMR Data

(2012) Benjamin Bardiaux et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Parameterization of solvent–protein interaction and its use on NMR protein structure determination

(2012) Yu Wang et al.   JOURNAL OF MAGNETIC RESONANCE

Smooth statistical torsion angle potential derived from a large conformational database via adaptive kernel density estimation improves the quality of NMR protein structures

(2012) Guillermo A. Bermejo et al.   PROTEIN SCIENCE

Impact of15NR2/R1Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints

(2011) Yaroslav Ryabov et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Consensus structure of Pf1 filamentous bacteriophage from X-ray fibre diffraction and solid-state NMR

(2010) S. K. Straus et al.   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

Direct Use of15N Relaxation Rates as Experimental Restraints on Molecular Shape and Orientation for Docking of Protein−Protein Complexes

(2010) Yaroslav Ryabov et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Improving the quality of NMR and crystallographic protein structures by means of a conformational database potential derived from structure databases

(2010) John Kuszewski et al.   PROTEIN SCIENCE

Using the Experimentally Determined Components of the Overall Rotational Diffusion Tensor To Restrain Molecular Shape and Size in NMR Structure Determination of Globular Proteins and Protein−Protein Complexes

(2009) Yaroslav Ryabov et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ensemble Calculations of Unstructured Proteins Constrained by RDC and PRE Data: A Case Study of Urea-Denatured Ubiquitin

(2009) Jie-rong Huang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Automated error-tolerant macromolecular structure determination from multidimensional nuclear Overhauser enhancement spectra and chemical shift assignments: improved robustness and performance of the PASD algorithm

(2008) John J. Kuszewski et al.   JOURNAL OF BIOMOLECULAR NMR

Dipole tensor-based atomic-resolution structure determination of a nanocrystalline protein by solid-state NMR

(2008) W. T. Franks et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A Pseudopotential for Improving the Packing of Ellipsoidal Protein Structures Determined from NMR Data†

(2007) Charles D. Schwieters et al.   JOURNAL OF PHYSICAL CHEMISTRY B