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

The AUDANA algorithm for automated protein 3D structure determination from NMR NOE data

(2016) Woonghee Lee et al.   JOURNAL OF BIOMOLECULAR NMR

Structural Analysis of Multi-Helical RNAs by NMR–SAXS/WAXS: Application to the U4/U6 di-snRNA

(2016) Gabriel Cornilescu et al.   JOURNAL OF MOLECULAR BIOLOGY

Improving NMR Structures of RNA

(2016) Guillermo A. Bermejo et al.   STRUCTURE

CHARMM additive and polarizable force fields for biophysics and computer-aided drug design

(2015) K. Vanommeslaeghe et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

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

(2015) Ye Tian et al.   BIOPHYSICAL JOURNAL

Backbone structure of Yersinia pestis Ail determined in micelles by NMR-restrained simulated annealing with implicit membrane solvation

(2015) Francesca M. Marassi et al.   JOURNAL OF BIOMOLECULAR NMR

Advanced solid-state NMR techniques for characterization of membrane protein structure and dynamics: Application to Anabaena Sensory Rhodopsin

(2015) Meaghan E. Ward et al.   JOURNAL OF MAGNETIC RESONANCE

Structural Basis for a Novel Interaction between the NS1 Protein Derived from the 1918 Influenza Virus and RIG-I

(2015) Alexander S. Jureka et al.   STRUCTURE

Membrane Protein Structural Validation by Oriented Sample Solid-State NMR: Diacylglycerol Kinase

(2014) Dylan T. Murray et al.   BIOPHYSICAL JOURNAL

A practical implicit solvent potential for NMR structure calculation

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

Protein NMR Structures Refined with Rosetta Have Higher Accuracy Relative to Corresponding X-ray Crystal Structures

(2014) Binchen Mao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure of CrgA, a cell division structural and regulatory protein fromMycobacterium tuberculosis, in lipid bilayers

(2014) Nabanita Das et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Protein Structure Determination with Paramagnetic Solid-State NMR Spectroscopy

(2013) Ishita Sengupta et al.   ACCOUNTS OF CHEMICAL RESEARCH

NMR-Based Simulation Studies of Pf1 Coat Protein in Explicit Membranes

(2013) Xi Cheng et al.   BIOPHYSICAL JOURNAL

Solid state NMR: The essential technology for helical membrane protein structural characterization

(2013) Timothy A. Cross et al.   JOURNAL OF MAGNETIC RESONANCE

Optimized Phospholipid Bilayer Nanodiscs Facilitate High-Resolution Structure Determination of Membrane Proteins

(2013) Franz Hagn et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Solid-state NMR spectroscopy structure determination of a lipid-embedded heptahelical membrane protein

(2013) Shenlin Wang et al.   NATURE METHODS

Biomolecular Simulation: A Computational Microscope for Molecular Biology

(2012) Ron O. Dror et al.   Annual Review of Biophysics

NMR Observable-Based Structure Refinement of DAP12-NKG2C Activating Immunoreceptor Complex in Explicit Membranes

(2012) Xi Cheng et al.   BIOPHYSICAL JOURNAL

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

NMR Structures of ApoL. caseiDihydrofolate Reductase and Its Complexes with Trimethoprim and NADPH: Contributions to Positive Cooperative Binding from Ligand-Induced Refolding, Conformational Changes, and Interligand Hydrophobic Interactions

(2011) James Feeney et al.   BIOCHEMISTRY

A Grid-enabled web portal for NMR structure refinement with AMBER

(2011) Ivano Bertini et al.   BIOINFORMATICS

Mycobacterium tuberculosisRv0899 Adopts a Mixed α/β-Structure and Does Not Form a Transmembrane β-Barrel

(2010) Peter Teriete et al.   BIOCHEMISTRY

NMR Structure Determination for Larger Proteins Using Backbone-Only Data

(2010) S. Raman et al.   SCIENCE

Insight into the Mechanism of the Influenza A Proton Channel from a Structure in a Lipid Bilayer

(2010) M. Sharma et al.   SCIENCE

MolProbity: all-atom structure validation for macromolecular crystallography

(2009) Vincent B. Chen et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

A refinement protocol to determine structure, topology, and depth of insertion of membrane proteins using hybrid solution and solid-state NMR restraints

(2009) Lei Shi et al.   JOURNAL OF BIOMOLECULAR NMR

CHARMM: The biomolecular simulation program

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

Macromolecular Modeling with Rosetta

(2008) Rhiju Das et al.   Annual Review of Biochemistry

Orientation of theEscherichia coliOuter Membrane Protein OmpX in Phospholipid Bilayer Membranes Determined by Solid-State NMR†

(2008) Radhakrishnan Mahalakshmi et al.   BIOCHEMISTRY

Regulation of T Cell Receptor Activation by Dynamic Membrane Binding of the CD3ɛ Cytoplasmic Tyrosine-Based Motif

(2008) Chenqi Xu et al.   CELL

Recent advances in implicit solvent-based methods for biomolecular simulations

(2008) Jianhan Chen et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Improving NMR protein structure quality by Rosetta refinement: A molecular replacement study

(2008) Theresa A. Ramelot et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS