Sampling Enrichment toward Target Structures Using Hybrid Molecular Dynamics-Monte Carlo Simulations

Interpretation of Solution X-Ray Scattering by Explicit-Solvent Molecular Dynamics

(2015) Po-chia Chen et al.   BIOPHYSICAL JOURNAL

Deciphering Solution Scattering Data with Experimentally Guided Molecular Dynamics Simulations

(2015) Alexander Björling et al.   Journal of Chemical Theory and Computation

Methods for SAXS-Based Structure Determination of Biomolecular Complexes

(2014) Sichun Yang   ADVANCED MATERIALS

SASBDB, a repository for biological small-angle scattering data

(2014) Erica Valentini et al.   NUCLEIC ACIDS RESEARCH

Super-Resolution in Solution X-Ray Scattering and Its Applications to Structural Systems Biology

(2013) Robert P. Rambo et al.   Annual Review of Biophysics

Fast-SAXS-pro: A unified approach to computing SAXS profiles of DNA, RNA, protein, and their complexes

(2013) Krishnakumar M. Ravikumar et al.   JOURNAL OF CHEMICAL PHYSICS

Influence of Protein Self-Association on Complex Coacervation with Polysaccharide: A Monte Carlo Study

(2013) Yunqi Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

CASP10 results compared to those of previous CASP experiments

(2013) Andriy Kryshtafovych et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Physics-based protein structure refinement through multiple molecular dynamics trajectories and structure averaging

(2013) Vahid Mirjalili et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Challenging the state of the art in protein structure prediction: Highlights of experimental target structures for the 10th Critical Assessment of Techniques for Protein Structure Prediction Experiment CASP10

(2013) Andriy Kryshtafovych et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Evaluation of predictions in the CASP10 model refinement category

(2013) Timothy Nugent et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Biomolecular Simulation: A Computational Microscope for Molecular Biology

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

Understanding the Dissolution of α-Zein in Aqueous Ethanol and Acetic Acid Solutions

(2012) Yunqi Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Equilibrium Sampling in Biomolecular Simulations

(2011) Daniel M. Zuckerman   Annual Review of Biophysics

Improving Protein Template Recognition by Using Small-Angle X-Ray Scattering Profiles

(2011) Marcelo Augusto dos Reis et al.   BIOPHYSICAL JOURNAL

Accurate Flexible Fitting of High-Resolution Protein Structures to Small-Angle X-Ray Scattering Data Using a Coarse-Grained Model with Implicit Hydration Shell

(2011) Wenjun Zheng et al.   BIOPHYSICAL JOURNAL

EROS: Better than SAXS!

(2011) Sichun Yang et al.   STRUCTURE

SAXS Ensemble Refinement of ESCRT-III CHMP3 Conformational Transitions

(2011) Bartosz Różycki et al.   STRUCTURE

Large conformational changes in proteins: signaling and other functions

(2010) Barry J Grant et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Defining Conformational Ensembles of Intrinsically Disordered and Partially Folded Proteins Directly from Chemical Shifts

(2010) Malene Ringkjøbing Jensen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Multidomain assembled states of Hck tyrosine kinase in solution

(2010) S. Yang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Using NMR Chemical Shifts as Structural Restraints in Molecular Dynamics Simulations of Proteins

(2010) Paul Robustelli et al.   STRUCTURE

Protein Structure Prediction by Pro-Sp3-TASSER

(2009) Hongyi Zhou et al.   BIOPHYSICAL JOURNAL

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

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

Flexible Fitting of High-Resolution X-Ray Structures into Cryoelectron Microscopy Maps Using Biased Molecular Dynamics Simulations

(2008) Marek Orzechowski et al.   BIOPHYSICAL JOURNAL

Ten-Microsecond Molecular Dynamics Simulation of a Fast-Folding WW Domain

(2008) Peter L. Freddolino et al.   BIOPHYSICAL JOURNAL

Small angle neutron and X-ray scattering in structural biology: recent examples from the literature

(2008) Cameron Neylon   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

A structure refinement protocol combining NMR residual dipolar couplings and small angle scattering restraints

(2008) F. Gabel et al.   JOURNAL OF BIOMOLECULAR NMR

Integration of Small-Angle X-Ray Scattering Data into Structural Modeling of Proteins and Their Assemblies

(2008) Friedrich Förster et al.   JOURNAL OF MOLECULAR BIOLOGY

Flexible Fitting of Atomic Structures into Electron Microscopy Maps Using Molecular Dynamics

(2008) Leonardo G. Trabuco et al.   STRUCTURE