Computational modeling multiple conformational states of proteins with residual dipolar coupling data

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RCSB Protein Data Bank: Celebrating 50 years of the PDB with new tools for understanding and visualizing biological macromolecules in 3D

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Orienting domains in proteins using dipolar couplings measured by liquid-state NMR: differences in solution and crystal forms of maltodextrin binding protein loaded with β-cyclodextrin

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REDCAT: a residual dipolar coupling analysis tool

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Variation of Molecular Alignment as a Means of Resolving Orientational Ambiguities in Protein Structures from Dipolar Couplings

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NMR Provides Unique Insight into the Functional Dynamics and Interactions of Intrinsically Disordered Proteins

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The binding of heparin to spike glycoprotein inhibits SARS-CoV-2 infection by three mechanisms

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The structural dynamics of myoglobin

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Conformational ensembles of intrinsically disordered proteins and flexible multidomain proteins

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Global Structure of the Intrinsically Disordered Protein Tau Emerges from Its Local Structure

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Protein structure determination by combining sparse NMR data with evolutionary couplings

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Lipases from the genus Rhizopus : Characteristics, expression, protein engineering and application

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Concordance of X-ray and AlphaFold2 Models of SARS-CoV-2 Main Protease with Residual Dipolar Couplings Measured in Solution

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Advances in NMR Spectroscopy of Weakly Aligned Biomolecular Systems

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Transient lipid-bound states of spike protein heptad repeats provide insights into SARS-CoV-2 membrane fusion

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Effects of ligand binding and conformational switching on intracellular stability of human thymidylate synthase

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Local Dynamic Amplitudes on the Protein Backbone from Dipolar Couplings: Toward the Elucidation of Slower Motions in Biomolecules

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Using simulation to interpret experimental data in terms of protein conformational ensembles

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MaxOcc: a web portal for maximum occurrence analysis

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Phage-Induced Alignment of Membrane Proteins Enables the Measurement and Structural Analysis of Residual Dipolar Couplings with Dipolar Waves and λ-Maps

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Improved Accuracy from Joint X-ray and NMR Refinement of a Protein–RNA Complex Structure

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Reconstruction of Coupled Intra- and Interdomain Protein Motion from Nuclear and Electron Magnetic Resonance

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Simultaneous structure and dynamics of a membrane protein using REDCRAFT: Membrane-bound form of Pf1 coat protein

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Comparison of Different Reweighting Approaches for the Calculation of Conformational Variability of Macromolecules from Molecular Simulations

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Sparse isotope labeling for nuclear magnetic resonance (NMR) of glycoproteins using 13C-glucose

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Advances in the REDCAT software package

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Solution structure ensemble of human obesity-associated protein FTO reveals druggable surface pockets at the interface between the N- and C-terminal domain

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A Traveling Wave Ion Mobility Spectrometry (TWIMS) Study of the Robo1-Heparan Sulfate Interaction

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Interdomain Dynamics via Paramagnetic NMR on the Highly Flexible Complex Calmodulin/Munc13-1

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Protein Dynamics to Define and Refine Disordered Protein Ensembles

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Backbone resonance assignment and order tensor estimation using residual dipolar couplings

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Measurement and Analysis of NMR Residual Dipolar Couplings for the Study of Intrinsically Disordered Proteins

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REDCRAFT: A computational platform using residual dipolar coupling NMR data for determining structures of perdeuterated proteins in solution

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Molecular insights on CALX-CBD12 interdomain dynamics from MD simulations, RDCs, and SAXS

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Assessing Structural Preferences of Unstructured Protein Regions by NMR

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Increased usability, algorithmic improvements and incorporation of data mining for structure calculation of proteins with REDCRAFT software package

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NMR analysis suggests the terminal domains of Robo1 remain extended but are rigidified in the presence of heparan sulfate

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Structure Calculation and Reconstruction of Discrete-State Dynamics from Residual Dipolar Couplings

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Improvements of the REDCRAFT Software PackagePreprint

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Concurrent Identification and Characterization of Protein Structure and Continuous Internal Dynamics with REDCRAFT

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The power and pitfalls of AlphaFold2 for structure prediction beyond rigid globular proteins

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Cell phenotypes can be predicted from propensities of protein conformations

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Develop Targeted Protein Drug Carriers through a High‐Throughput Screening Platform and Rational Design

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Exploring the Complexity of Protein Structure Determination Through X-ray Diffraction

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Lessons from Deep Learning Structural Prediction of Multistate Multidomain Proteins—The Case Study of Coiled-Coil NOD-like Receptors

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Overview of Molecular Modeling in Drug Discovery with a Special Emphasis on the Applications of Artificial Intelligence

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Going high-throughput: Dynamic conformations and interactions in vivo

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Lanthanide Spin Labels for Biomolecular NMR: Chemical Design and Structural Applications

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Nuclear Magnetic Resonance Provides a Quantitative Description of Protein Conformational Flexibility on Physiologically Important Time Scales

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Structure Calculation and Reconstruction of Discrete-State Dynamics from Residual Dipolar Couplings

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Determination of structural fluctuations of proteins from structure-based calculations of residual dipolar couplings

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Simultaneous Determination of Protein Backbone Structure and Dynamics from Residual Dipolar Couplings

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New opportunities for tensor-free calculations of residual dipolar couplings for the study of protein dynamics

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