Methodology for rigorous modeling of protein conformational changes by Rosetta using DEER Distance Restraints

Sequence and structural determinants of ligand-dependent alternating access of a MATE transporter

(2020) Kevin L. Jagessar et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Allosteric conformational change of a cyclic nucleotide-gated ion channel revealed by DEER spectroscopy

(2020) Eric G. B. Evans et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Hybrid Refinement of Heterogeneous Conformational Ensembles Using Spectroscopic Data

(2019) Jennifer M. Hays et al.   Journal of Physical Chemistry Letters

Inward-facing conformation of a multidrug resistance MATE family transporter

(2019) Sandra Zakrzewska et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Deep neural network processing of DEER data

(2018) Steven G. Worswick et al.   Science Advances

Singular Value Decomposition Method To Determine Distance Distributions in Pulsed Dipolar Electron Spin Resonance: II. Estimating Uncertainty

(2018) Madhur Srivastava et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structural Characterization of Biomolecules through Atomistic Simulations Guided by DEER Measurements

(2018) Fabrizio Marinelli et al.   STRUCTURE

Rates and equilibrium constants of the ligand-induced conformational transition of an HCN ion channel protein domain determined by DEER spectroscopy

(2017) Alberto Collauto et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

MMM: A toolbox for integrative structure modeling

(2017) Gunnar Jeschke   PROTEIN SCIENCE

Relative Orientation of POTRA Domains from Cyanobacterial Omp85 Studied by Pulsed EPR Spectroscopy

(2016) Reza Dastvan et al.   BIOPHYSICAL JOURNAL

A Bayesian approach to quantifying uncertainty from experimental noise in DEER spectroscopy

(2016) Thomas H. Edwards et al.   JOURNAL OF MAGNETIC RESONANCE

Characterization of the Domain Orientations of E. coli 5′-Nucleotidase by Fitting an Ensemble of Conformers to DEER Distance Distributions

(2016) Ulrike Krug et al.   STRUCTURE

Ensemble-Biased Metadynamics: A Molecular Simulation Method to Sample Experimental Distributions

(2015) Fabrizio Marinelli et al.   BIOPHYSICAL JOURNAL

An Integrated Framework Advancing Membrane Protein Modeling and Design

(2015) Rebecca F. Alford et al.   PLoS Computational Biology

EPR-Based Approach for the Localization of Paramagnetic Metal Ions in Biomolecules

(2014) Dinar Abdullin et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Conformational dynamics of ligand-dependent alternating access in LeuT

(2014) Kelli Kazmier et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Dynamics transitions at the outer vestibule of the KcsA potassium channel during gating

(2014) H. Raghuraman et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Conformational dynamics of the nucleotide binding domains and the power stroke of a heterodimeric ABC transporter

(2014) Smriti Mishra et al.   eLife

Restrained-Ensemble Molecular Dynamics Simulations Based on Distance Histograms from Double Electron–Electron Resonance Spectroscopy

(2013) Benoît Roux et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structural Refinement from Restrained-Ensemble Simulations Based on EPR/DEER Data: Application to T4 Lysozyme

(2013) Shahidul M. Islam et al.   JOURNAL OF PHYSICAL CHEMISTRY B

mtsslSuite:In silicospin labelling, trilateration and distance-constrained rigid body docking in PyMOL

(2013) Gregor Hagelueken et al.   MOLECULAR PHYSICS

Structural basis for the drug extrusion mechanism by a MATE multidrug transporter

(2013) Yoshiki Tanaka et al.   NATURE

Conformational dynamics and distribution of nitroxide spin labels

(2013) Gunnar Jeschke   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

DEER Distance Measurements on Proteins

(2012) Gunnar Jeschke   Annual Review of Physical Chemistry

MtsslWizard: In Silico Spin-Labeling and Generation of Distance Distributions in PyMOL

(2012) Gregor Hagelueken et al.   APPLIED MAGNETIC RESONANCE

Locating a Lipid at the Portal to the Lipoxygenase Active Site

(2012) Betty J. Gaffney et al.   BIOPHYSICAL JOURNAL

Effect of freezing conditions on distances and their distributions derived from Double Electron Electron Resonance (DEER): A study of doubly-spin-labeled T4 lysozyme

(2012) Elka R. Georgieva et al.   JOURNAL OF MAGNETIC RESONANCE

Computer modeling of nitroxide spin labels on proteins

(2011) Ma'mon M. Hatmal et al.   BIOPOLYMERS

Determination of Structural Models of the Complex between the Cytoplasmic Domain of Erythrocyte Band 3 and Ankyrin-R Repeats 13–24

(2011) Sunghoon Kim et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Toward the Fourth Dimension of Membrane Protein Structure: Insight into Dynamics from Spin-Labeling EPR Spectroscopy

(2011) Hassane S. Mchaourab et al.   STRUCTURE

Rotamer libraries of spin labelled cysteines for protein studies

(2010) Yevhen Polyhach et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS