A critical assessment of methods to recover information from averaged data

Protein docking using an ensemble of spin labels optimized by intra-molecular paramagnetic relaxation enhancement

(2016) Jesika Schilder et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Linkage-specific conformational ensembles of non-canonical polyubiquitin chains

(2016) Carlos A. Castañeda et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Detection of correlated conformational fluctuations in intrinsically disordered proteins through paramagnetic relaxation interference

(2016) D. Kurzbach et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The use of the Rx spin label in orientation measurement on proteins, by EPR

(2016) M. A. Stevens et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Inter-helical conformational preferences of HIV-1 TAR-RNA from maximum occurrence analysis of NMR data and molecular dynamics simulations

(2016) Witold Andrałojć et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Pulsed EPR characterization of HIV-1 protease conformational sampling and inhibitor-induced population shifts

(2016) Zhanglong Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Information content of long-range NMR data for the characterization of conformational heterogeneity

(2015) Witold Andrałojć et al.   JOURNAL OF BIOMOLECULAR NMR

A Rigorous and Efficient Method To Reweight Very Large Conformational Ensembles Using Average Experimental Data and To Determine Their Relative Information Content

(2015) Hoi Tik Alvin Leung et al.   Journal of Chemical Theory and Computation

Conformational dynamics of nucleic acid molecules studied by PELDOR spectroscopy with rigid spin labels

(2015) T.F. Prisner et al.   JOURNAL OF MAGNETIC RESONANCE

Unveiling Inherent Degeneracies in Determining Population-Weighted Ensembles of Interdomain Orientational Distributions Using NMR Residual Dipolar Couplings: Application to RNA Helix Junction Helix Motifs

(2015) Shan Yang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics of Biomolecules through Direct Analysis of Dipolar Couplings

(2015) Simon Olsson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Integrative, dynamic structural biology at atomic resolution—it's about time

(2015) Henry van den Bedem et al.   NATURE METHODS

NMR studies of dynamic biomolecular conformational ensembles

(2015) Dennis A. Torchia   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

Insights into Domain–Domain Motions in Proteins and RNA from Solution NMR

(2014) Enrico Ravera et al.   ACCOUNTS OF CHEMICAL RESEARCH

Bayesian Energy Landscape Tilting: Towards Concordant Models of Molecular Ensembles

(2014) Kyle A. Beauchamp et al.   BIOPHYSICAL JOURNAL

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

Exploring Regions of Conformational Space Occupied by Two-Domain Proteins

(2014) Witold Andrałojć et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Probing Protein Conformation in Cells by EPR Distance Measurements using Gd3+ Spin Labeling

(2014) Andrea Martorana et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Application of the maximum entropy principle to determine ensembles of intrinsically disordered proteins from residual dipolar couplings

(2014) M. Sanchez-Martinez et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Combining Experiments and Simulations Using the Maximum Entropy Principle

(2014) Wouter Boomsma et al.   PLoS Computational Biology

Conformational freedom of metalloproteins revealed by paramagnetism-assisted NMR

(2013) Marco Fragai et al.   COORDINATION CHEMISTRY REVIEWS

Examination of Matrix Metalloproteinase-1 in Solution

(2013) Linda Cerofolini et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Deriving quantitative dynamics information for proteins and RNAs using ROTDIF with a graphical user interface

(2013) Konstantin Berlin et al.   JOURNAL OF BIOMOLECULAR NMR

On the statistical equivalence of restrained-ensemble simulations with the maximum entropy method

(2013) Benoît Roux et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics simulations with replica-averaged structural restraints generate structural ensembles according to the maximum entropy principle

(2013) Andrea Cavalli et al.   JOURNAL OF CHEMICAL PHYSICS

Interdomain Dynamics Explored by Paramagnetic NMR

(2013) Luigi Russo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Recovering a Representative Conformational Ensemble from Underdetermined Macromolecular Structural Data

(2013) Konstantin Berlin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Inference of Structure Ensembles of Flexible Biomolecules from Sparse, Averaged Data

(2013) Simon Olsson et al.   PLoS One

NMR spectroscopy on domain dynamics in biomacromolecules

(2013) Yury E. Shapiro   PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY

Conformational dynamics and distribution of nitroxide spin labels

(2013) Gunnar Jeschke   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

Flexible-meccano: a tool for the generation of explicit ensemble descriptions of intrinsically disordered proteins and their associated experimental observables

(2012) V. Ozenne et al.   BIOINFORMATICS

Straight lines of neutron scattering in biology: a review of basic controls in SANS and EINS

(2012) Giuseppe Zaccai   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

MaxOcc: a web portal for maximum occurrence analysis

(2012) Ivano Bertini et al.   JOURNAL OF BIOMOLECULAR NMR

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

(2012) Yaroslav Ryabov et al.   JOURNAL OF CHEMICAL PHYSICS

On the Use of Experimental Observations to Bias Simulated Ensembles

(2012) Jed W. Pitera et al.   Journal of Chemical Theory and Computation

W-band orientation selective DEER measurements on a Gd3+/nitroxide mixed-labeled protein dimer with a dual mode cavity

(2012) Ilia Kaminker et al.   JOURNAL OF MAGNETIC RESONANCE

Phase transitions in the assembly of multivalent signalling proteins

(2012) Pilong Li et al.   NATURE

Paramagnetic relaxation enhancement for the characterization of the conformational heterogeneity in two-domain proteins

(2012) Ivano Bertini et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Recognition Pliability Is Coupled to Structural Heterogeneity: A Calmodulin Intrinsically Disordered Binding Region Complex

(2012) Malini Nagulapalli et al.   STRUCTURE

Narrowing the conformational space sampled by two-domain proteins with paramagnetic probes in both domains

(2011) Soumyasri Dasgupta et al.   JOURNAL OF BIOMOLECULAR NMR

Multi-domain conformational selection underlies pre-mRNA splicing regulation by U2AF

(2011) Cameron D. Mackereth et al.   NATURE

SAXS Ensemble Refinement of ESCRT-III CHMP3 Conformational Transitions

(2011) Bartosz Różycki et al.   STRUCTURE

Conformational freedom of proteins and the maximal probability of sets of orientations

(2010) Luca Sgheri   INVERSE PROBLEMS

Mapping the encounter state of a transient protein complex by PRE NMR spectroscopy

(2010) Alexander N. Volkov et al.   JOURNAL OF BIOMOLECULAR NMR

Structure-Independent Analysis of the Breadth of the Positional Distribution of Disordered Groups in Macromolecules from Order Parameters for Long, Variable-Length Vectors Using NMR Paramagnetic Relaxation Enhancement

(2010) Junji Iwahara et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Modeling Intrinsically Disordered Proteins with Bayesian Statistics

(2010) Charles K. Fisher et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Conformational Space of Flexible Biological Macromolecules from Average Data

(2010) Ivano Bertini et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

NMR Characterization of Long-Range Order in Intrinsically Disordered Proteins

(2010) Loïc Salmon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanistic details of a protein-protein association pathway revealed by paramagnetic relaxation enhancement titration measurements

(2010) N. L. Fawzi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure and flexibility within proteins as identified through small angle X-ray scattering

(2009) M. Pelikan et al.   GENERAL PHYSIOLOGY AND BIOPHYSICS

Intermolecular dynamics studied by paramagnetic tagging

(2009) Xingfu Xu et al.   JOURNAL OF BIOMOLECULAR NMR

Improvement and analysis of computational methods for prediction of residual dipolar couplings

(2009) Konstantin Berlin et al.   JOURNAL OF MAGNETIC RESONANCE

Structure and Disorder in an Unfolded State under Nondenaturing Conditions from Ensemble Models Consistent with a Large Number of Experimental Restraints

(2009) Joseph A. Marsh et al.   JOURNAL OF MOLECULAR BIOLOGY

Quantitative Description of Backbone Conformational Sampling of Unfolded Proteins at Amino Acid Resolution from NMR Residual Dipolar Couplings

(2009) Gabrielle Nodet et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Determination of the Free Energy Landscape of α-Synuclein Using Spin Label Nuclear Magnetic Resonance Measurements

(2009) Jane R. Allison et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Visualization of the Encounter Ensemble of the Transient Electron Transfer Complex of Cytochromecand CytochromecPeroxidase

(2009) Qamar Bashir 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

Neutrons for biologists: a beginner's guide, or why you should consider using neutrons

(2009) J. H. Lakey   Journal of the Royal Society Interface

Dynamic activation of an allosteric regulatory protein

(2009) Shiou-Ru Tzeng et al.   NATURE

Constructing RNA dynamical ensembles by combining MD and motionally decoupled NMR RDCs: new insights into RNA dynamics and adaptive ligand recognition

(2009) Aaron T. Frank et al.   NUCLEIC ACIDS RESEARCH

REDCRAFT: A tool for simultaneous characterization of protein backbone structure and motion from RDC data

(2008) Michael Bryson et al.   JOURNAL OF MAGNETIC RESONANCE

Dynamics in a Pure Encounter Complex of Two Proteins Studied by Solution Scattering and Paramagnetic NMR Spectroscopy

(2008) Xingfu Xu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

NMR: prediction of molecular alignment from structure using the PALES software

(2008) Markus Zweckstetter   Nature Protocols

The Effect of a ΔK280 Mutation on the Unfolded State of a Microtubule-Binding Repeat in Tau

(2008) Austin Huang et al.   PLoS Computational Biology