List of works - Charles D Schwieters

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

scientific article

A method for helical RNA global structure determination in solution using small-angle x-ray scattering and NMR measurements

scientific article published on 08 August 2009

A physical picture of atomic motions within the Dickerson DNA dodecamer in solution derived from joint ensemble refinement against NMR and large-angle X-ray scattering data

scientific article

A practical implicit solvent potential for NMR structure calculation.

scientific article

A pseudopotential for improving the packing of ellipsoidal protein structures determined from NMR data.

scientific article

A three-dimensional potential of mean force to improve backbone and sidechain hydrogen bond geometry in Xplor-NIH protein structure determination

scientific article published on 27 October 2019

AssignFit: a program for simultaneous assignment and structure refinement from solid-state NMR spectra

scientific article

Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR

scientific article published on 08 September 2020

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

scientific article

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

scientific article

Cold denaturation of a protein dimer monitored at atomic resolution ⬇️

scientific article published on February 10, 2013

Combined Use of Residual Dipolar Couplings and Solution X-ray Scattering To Rapidly Probe Rigid-Body Conformational Transitions in a Non-phosphorylatable Active-Site Mutant of the 128 kDa Enzyme I Dimer

scientific article

Completely automated, highly error-tolerant macromolecular structure determination from multidimensional nuclear overhauser enhancement spectra and chemical shift assignments

scientific article

Conformational Ensemble of Disordered Proteins Probed by Solvent Paramagnetic Relaxation Enhancement (sPRE)

scientific article published on 12 September 2018

Conjoined use of EM and NMR in RNA structure refinement

scientific article

Coupling between internal dynamics and rotational diffusion in the presence of exchange between discrete molecular conformations

scientific article published on January 2012

Determination of Multicomponent Protein Structures in Solution Using Global Orientation and Shape Restraints

scientific article

Direct use of 15N relaxation rates as experimental restraints on molecular shape and orientation for docking of protein-protein complexes

scientific article

Docking of protein-protein complexes on the basis of highly ambiguous intermolecular distance restraints derived from 1H/15N chemical shift mapping and backbone 15N-1H residual dipolar couplings using conjoined rigid body/torsion angle dynamics

scientific article published in March 2003

Ensemble approach for NMR structure refinement against (1)H paramagnetic relaxation enhancement data arising from a flexible paramagnetic group attached to a macromolecule

scientific article

Global molecular structure and interfaces: refining an RNA:RNA complex structure using solution X-ray scattering data

scientific article

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

scientific article

High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data

scientific article

How much backbone motion in ubiquitin is required to account for dipolar coupling data measured in multiple alignment media as assessed by independent cross-validation?

scientific article published in March 2004

Impact of 15N R2/R1 relaxation restraints on molecular size, shape, and bond vector orientation for NMR protein structure determination with sparse distance restraints

scientific article

Improving NMR Structures of RNA

scientific article published on 2 April 2016

Molecular Structure of β-Amyloid Fibrils in Alzheimer’s Disease Brain Tissue

scientific article

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

scientific article

Open-to-closed transition in apo maltose-binding protein observed by paramagnetic NMR

scientific article

Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop

scientific article published on 18 June 2015

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

scientific article published on June 7, 2012

Proline-rich domain of human ALIX contains multiple TSG101-UEV interaction sites and forms phosphorylation-mediated reversible amyloids

scientific article published on 11 September 2020

Protein Structure Elucidation from NMR Data with the Program Xplor-NIH.

scientific article published in January 2018

Protein fold determined by paramagnetic magic-angle spinning solid-state NMR spectroscopy ⬇️

scientific article published on March 18, 2012

Protein structure refinement using 13C alpha chemical shift tensors

scientific article

Recommendations of the wwPDB NMR Validation Task Force

scientific article

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

scientific article

Restraints on backbone conformations in solid state NMR studies of uniformly labeled proteins from quantitative amide 15N–15N and carbonyl 13C–13C dipolar recoupling data ⬇️

scientific article published on March 9, 2012

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

scientific article published on 18 October 2012

Solution Structure of the 128 kDa Enzyme I Dimer from Escherichia coli and Its 146 kDa Complex with HPr Using Residual Dipolar Couplings and Small- and Wide-Angle X-ray Scattering

scientific article

Solution and membrane-bound conformations of the tandem C2A and C2B domains of synaptotagmin 1: Evidence for bilayer bridging

scientific article

Solution structure of the cap-independent translational enhancer and ribosome-binding element in the 3' UTR of turnip crinkle virus

scientific article

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

scientific article

Structure of the Disulfide Bond Generating Membrane Protein DsbB in the Lipid Bilayer ⬇️

scientific article published on February 14, 2013

Structure of the NPr:EINNtr Complex: Mechanism for Specificity in Paralogous Phosphotransferase Systems

scientific article published on 8 November 2016

Structure-guided bifunctional molecules hit a DEUBAD-lacking hRpn13 species upregulated in multiple myeloma

scientific article published on 16 December 2021

The Xplor-NIH NMR molecular structure determination package

scientific article (publication date: 2003)

The structure of the RCAN1:CN complex explains the inhibition of and substrate recruitment by calcineurin

scientific article published on 01 July 2020

Theoretical and computational advances in biomolecular NMR spectroscopy

scientific article

Theory and practice of using solvent paramagnetic relaxation enhancement to characterize protein conformational dynamics.

scientific article

Three-Dimensional Structure of CAP-Gly Domain of Mammalian Dynactin Determined by Magic Angle Spinning NMR Spectroscopy: Conformational Plasticity and Interactions with End-Binding Protein EB1 ⬇️

scientific article published on May 4, 2013

Topological Structure Determination of RNA Using Small-Angle X-Ray Scattering

scientific article published on 13 September 2017

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

scientific article (publication date: July 2014)

Xplor-NIH for Molecular Structure Determination from NMR and Other Data Sources

scientific article

pH-triggered, activated-state conformations of the influenza hemagglutinin fusion peptide revealed by NMR ⬇️

scientific article published on November 19, 2012

List of works by Charles D Schwieters

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

A method for helical RNA global structure determination in solution using small-angle x-ray scattering and NMR measurements

A physical picture of atomic motions within the Dickerson DNA dodecamer in solution derived from joint ensemble refinement against NMR and large-angle X-ray scattering data

A practical implicit solvent potential for NMR structure calculation.

A pseudopotential for improving the packing of ellipsoidal protein structures determined from NMR data.

A three-dimensional potential of mean force to improve backbone and sidechain hydrogen bond geometry in Xplor-NIH protein structure determination

AssignFit: a program for simultaneous assignment and structure refinement from solid-state NMR spectra

Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR

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

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

Cold denaturation of a protein dimer monitored at atomic resolution ⬇️

Combined Use of Residual Dipolar Couplings and Solution X-ray Scattering To Rapidly Probe Rigid-Body Conformational Transitions in a Non-phosphorylatable Active-Site Mutant of the 128 kDa Enzyme I Dimer

Completely automated, highly error-tolerant macromolecular structure determination from multidimensional nuclear overhauser enhancement spectra and chemical shift assignments

Conformational Ensemble of Disordered Proteins Probed by Solvent Paramagnetic Relaxation Enhancement (sPRE)

Conjoined use of EM and NMR in RNA structure refinement

Coupling between internal dynamics and rotational diffusion in the presence of exchange between discrete molecular conformations

Determination of Multicomponent Protein Structures in Solution Using Global Orientation and Shape Restraints

Direct use of 15N relaxation rates as experimental restraints on molecular shape and orientation for docking of protein-protein complexes

Docking of protein-protein complexes on the basis of highly ambiguous intermolecular distance restraints derived from 1H/15N chemical shift mapping and backbone 15N-1H residual dipolar couplings using conjoined rigid body/torsion angle dynamics

Ensemble approach for NMR structure refinement against (1)H paramagnetic relaxation enhancement data arising from a flexible paramagnetic group attached to a macromolecule

Global molecular structure and interfaces: refining an RNA:RNA complex structure using solution X-ray scattering data

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

High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data

How much backbone motion in ubiquitin is required to account for dipolar coupling data measured in multiple alignment media as assessed by independent cross-validation?

Impact of 15N R2/R1 relaxation restraints on molecular size, shape, and bond vector orientation for NMR protein structure determination with sparse distance restraints

Improving NMR Structures of RNA

Molecular Structure of β-Amyloid Fibrils in Alzheimer’s Disease Brain Tissue

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

Open-to-closed transition in apo maltose-binding protein observed by paramagnetic NMR

Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop

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

Proline-rich domain of human ALIX contains multiple TSG101-UEV interaction sites and forms phosphorylation-mediated reversible amyloids

Protein Structure Elucidation from NMR Data with the Program Xplor-NIH.

Protein fold determined by paramagnetic magic-angle spinning solid-state NMR spectroscopy ⬇️

Protein structure refinement using 13C alpha chemical shift tensors

Recommendations of the wwPDB NMR Validation Task Force

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

Restraints on backbone conformations in solid state NMR studies of uniformly labeled proteins from quantitative amide 15N–15N and carbonyl 13C–13C dipolar recoupling data ⬇️

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

Solution Structure of the 128 kDa Enzyme I Dimer from Escherichia coli and Its 146 kDa Complex with HPr Using Residual Dipolar Couplings and Small- and Wide-Angle X-ray Scattering

Solution and membrane-bound conformations of the tandem C2A and C2B domains of synaptotagmin 1: Evidence for bilayer bridging

Solution structure of the cap-independent translational enhancer and ribosome-binding element in the 3' UTR of turnip crinkle virus

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

Structure of the Disulfide Bond Generating Membrane Protein DsbB in the Lipid Bilayer ⬇️

Structure of the NPr:EINNtr Complex: Mechanism for Specificity in Paralogous Phosphotransferase Systems

Structure-guided bifunctional molecules hit a DEUBAD-lacking hRpn13 species upregulated in multiple myeloma

The Xplor-NIH NMR molecular structure determination package

The structure of the RCAN1:CN complex explains the inhibition of and substrate recruitment by calcineurin

Theoretical and computational advances in biomolecular NMR spectroscopy

Theory and practice of using solvent paramagnetic relaxation enhancement to characterize protein conformational dynamics.

Three-Dimensional Structure of CAP-Gly Domain of Mammalian Dynactin Determined by Magic Angle Spinning NMR Spectroscopy: Conformational Plasticity and Interactions with End-Binding Protein EB1 ⬇️

Topological Structure Determination of RNA Using Small-Angle X-Ray Scattering

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

Xplor-NIH for Molecular Structure Determination from NMR and Other Data Sources

pH-triggered, activated-state conformations of the influenza hemagglutinin fusion peptide revealed by NMR ⬇️