相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。ff14IDPs force field improving the conformation sampling of intrinsically disordered proteins
Dong Song et al.
CHEMICAL BIOLOGY & DRUG DESIGN (2017)
CHARMM36m: an improved force field for folded and intrinsically disordered proteins
Jing Huang et al.
NATURE METHODS (2017)
The IDP-Specific Force Field ff14IDPSFF Improves the Conformer Sampling of Intrinsically Disordered Proteins
Dong Song et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2017)
Protein structural and surface water rearrangement constitute major events in the earliest aggregation stages of tau
Anna Pavlova et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2016)
Folding of the Tau Protein on Microtubules
Harindranath Kadavath et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
Test and Evaluation of ff99IDPs Force Field for Intrinsically Disordered Proteins
Wei Ye et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)
Structural Ensembles of Intrinsically Disordered Proteins Depend Strongly on Force Field: A Comparison to Experiment
Sarah Rauscher et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Intrinsically disordered proteins in cellular signalling and regulation
Peter E. Wright et al.
NATURE REVIEWS MOLECULAR CELL BIOLOGY (2015)
Validating Solution Ensembles from Molecular Dynamics Simulation by Wide-Angle X-ray Scattering Data
Po-chia Chen et al.
BIOPHYSICAL JOURNAL (2014)
New Force Field on Modeling Intrinsically Disordered Proteins
Wei Wang et al.
CHEMICAL BIOLOGY & DRUG DESIGN (2014)
Exploring Free-Energy Landscapes of Intrinsically Disordered Proteins at Atomic Resolution Using NMR Spectroscopy
Malene Ringkjobing Jensen et al.
CHEMICAL REVIEWS (2014)
Assessing the accuracy of physical models used in protein-folding simulations: quantitative evidence from long molecular dynamics simulations
Stefano Piana et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2014)
Balanced Protein-Water Interactions Improve Properties of Disordered Proteins and Non-Specific Protein Association
Robert B. Best et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
A Million Peptide Motifs for the Molecular Biologist
Peter Tompa et al.
MOLECULAR CELL (2014)
Allosteric Communication in the KIX Domain Proceeds through Dynamic Repacking of the Hydrophobic Core
Sven Brueschweiler et al.
ACS CHEMICAL BIOLOGY (2013)
The Arginine-Rich RNA-Binding Motif of HIV-1 Rev Is Intrinsically Disordered and Folds upon RRE Binding
Fabio Casu et al.
BIOPHYSICAL JOURNAL (2013)
Accurate SAXS Profile Computation and its Assessment by Contrast Variation Experiments
Dina Schneidman-Duhovny et al.
BIOPHYSICAL JOURNAL (2013)
Mechanistic Insight into the Relationship between N-Terminal Acetylation of α-Synuclein and Fibril Formation Rates by NMR and Fluorescence
Lijuan Kang et al.
PLOS ONE (2013)
Phosphorylation Drives a Dynamic Switch in Serine/Arginine-Rich Proteins
ShengQi Xiang et al.
STRUCTURE (2013)
Are Protein Force Fields Getting Better? A Systematic Benchmark on 524 Diverse NMR Measurements
Kyle A. Beauchamp et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone φ, ψ and Side-Chain χ1 and χ2 Dihedral Angles
Robert B. Best et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Systematic Validation of Protein Force Fields against Experimental Data
Kresten Lindorff-Larsen et al.
PLOS ONE (2012)
Structural characterization by nuclear magnetic resonance of the impact of phosphorylation in the proline-rich region of the disordered Tau protein
Nathalie Sibille et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2012)
SHIFTX2: significantly improved protein chemical shift prediction
Beomsoo Han et al.
JOURNAL OF BIOMOLECULAR NMR (2011)
Molecular simulations of protein disorder
Sarah Rauscher et al.
BIOCHEMISTRY AND CELL BIOLOGY (2010)
Scrutinizing Molecular Mechanics Force Fields on the Submicrosecond Timescale with NMR Data
Oliver F. Lange et al.
BIOPHYSICAL JOURNAL (2010)
SPARTA plus : a modest improvement in empirical NMR chemical shift prediction by means of an artificial neural network
Yang Shen et al.
JOURNAL OF BIOMOLECULAR NMR (2010)
A Combinatorial NMR and EPR Approach for Evaluating the Structural Ensemble of Partially Folded Proteins
Jampani Nageswara Rao et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Charge interactions can dominate the dimensions of intrinsically disordered proteins
Sonja Mueller-Spaeth et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)
Observation of β-Sheet Aggregation in a Gas-Phase Tau-Peptide Dimer
Timothy D. Vaden et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Biophysical characterizations of human mitochondrial transcription factor A and its binding to tumor suppressor p53
Tuck Seng Wong et al.
NUCLEIC ACIDS RESEARCH (2009)
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
Berk Hess et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Structure of tumor suppressor p53 and its intrinsically disordered N-terminal transactivation domain
Mark Wells et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)
Limits on variations in protein backbone dynamics from precise measurements of scalar couplings
Beat Vogeli et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Structure-function-rescue: the diverse nature of common p53 cancer mutants
A. C. Joerger et al.
ONCOGENE (2007)
Structure and dynamics of the homologous series of alanine peptides: A joint molecular dynamics/NMR study
Juergen Graf et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Canonical sampling through velocity rescaling
Giovanni Bussi et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Alzheimer's-disease-associated conformation of intrinsically disordered tau protein studied by intrinsically disordered protein liquid-phase competitive enzyme-linked immunosorbent assay
Rostislav Skrabana et al.
ANALYTICAL BIOCHEMISTRY (2006)
Residual dipolar couplings in short peptides reveal systematic conformational preferences of individual amino acids
Sonja Alexandra Dames et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
NMR characterization of a peptide model provides evidence for significant structure in the unfolded state of the villin headpiece helical subdomain
Yuefeng Tang et al.
BIOCHEMISTRY (2006)
Structural basis for cooperative transcription factor binding to the CBP coactivator
RN De Guzman et al.
JOURNAL OF MOLECULAR BIOLOGY (2006)
GROMACS: Fast, flexible, and free
D Van der Spoel et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
IA3, an aspartic proteinase inhibitor from Saccharomyces cerevisiae, is intrinsically unstructured in solution
TB Green et al.
BIOCHEMISTRY (2004)
Solution structure of the KIX domain of CBP bound to the transactivation domain of c-Myb
T Zor et al.
JOURNAL OF MOLECULAR BIOLOGY (2004)
Improved treatment of the protein backbone in empirical force fields
AD MacKerell et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations
AD Mackerell et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Enhanced hairpin stability through loop design: The case of the protein G B1 domain hairpin
RM Fesinmeyer et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Structural basis for the attachment of a paramyxoviral polymerase to its template
RL Kingston et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2004)
Roles of phosphorylation and helix propensity in the binding of the KIX domain of CREB-binding protein by constitutive (c-Myb) and inducible (CREB) activators
T Zor et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2002)
Validation of protein structure from preparations of encapsulated proteins dissolved in low viscosity fluids
CR Babu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
The aspartic proteinase from Saccharomyces cerevisiae folds its own inhibitor into a helix
M Li et al.
NATURE STRUCTURAL BIOLOGY (2000)
The Protein Data Bank
HM Berman et al.
NUCLEIC ACIDS RESEARCH (2000)