Metadynamic metainference: Convergence towards force field independent structural ensembles of a disordered peptide
出版年份 2017 全文链接
标题
Metadynamic metainference: Convergence towards force field independent structural ensembles of a disordered peptide
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 146, Issue 16, Pages 165102
出版商
AIP Publishing
发表日期
2017-04-24
DOI
10.1063/1.4981211
参考文献
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。- Simultaneous NMR characterisation of multiple minima in the free energy landscape of an RNA UUCG tetraloop
- (2017) Aditi N. Borkar et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint
- (2016) Omar Valsson et al. Annual Review of Physical Chemistry
- Hybrid Approaches to Structural Characterization of Conformational Ensembles of Complex Macromolecular Systems Combining NMR Residual Dipolar Couplings and Solution X-ray Scattering
- (2016) Vincenzo Venditti et al. CHEMICAL REVIEWS
- Protein Ensembles: How Does Nature Harness Thermodynamic Fluctuations for Life? The Diverse Functional Roles of Conformational Ensembles in the Cell
- (2016) Guanghong Wei et al. CHEMICAL REVIEWS
- The Role of Protein Loops and Linkers in Conformational Dynamics and Allostery
- (2016) Elena Papaleo et al. CHEMICAL REVIEWS
- A structural ensemble of a ribosome–nascent chain complex during cotranslational protein folding
- (2016) Lisa D Cabrita et al. NATURE STRUCTURAL & MOLECULAR BIOLOGY
- A critical assessment of methods to recover information from averaged data
- (2016) Enrico Ravera et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Structure of a low-population binding intermediate in protein-RNA recognition
- (2016) Aditi N. Borkar et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- A structural ensemble of a ribosome–nascent chain complex during cotranslational protein folding
- (2016) Lisa D Cabrita et al. NATURE STRUCTURAL & MOLECULAR BIOLOGY
- Metainference: A Bayesian inference method for heterogeneous systems
- (2016) M. Bonomi et al. Science Advances
- Metadynamic metainference: Enhanced sampling of the metainference ensemble using metadynamics
- (2016) Massimiliano Bonomi et al. Scientific Reports
- Plasticity of an Ultrafast Interaction between Nucleoporins and Nuclear Transport Receptors
- (2015) Sigrid Milles et al. CELL
- Dynamic properties of force fields
- (2015) F. Vitalini et al. JOURNAL OF CHEMICAL PHYSICS
- 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
- Efficient Sampling of High-Dimensional Free-Energy Landscapes with Parallel Bias Metadynamics
- (2015) Jim Pfaendtner et al. Journal of Chemical Theory and Computation
- Structural Ensembles of Intrinsically Disordered Proteins Depend Strongly on Force Field: A Comparison to Experiment
- (2015) Sarah Rauscher et al. Journal of Chemical Theory and Computation
- Water Dispersion Interactions Strongly Influence Simulated Structural Properties of Disordered Protein States
- (2015) Stefano Piana et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Comparing Molecular Dynamics Force Fields in the Essential Subspace
- (2015) Fernando Martín-García et al. PLoS One
- Introducing Protein Intrinsic Disorder
- (2014) Johnny Habchi et al. CHEMICAL REVIEWS
- Assessing the accuracy of physical models used in protein-folding simulations: quantitative evidence from long molecular dynamics simulations
- (2014) Stefano Piana et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
- Accuracy of Current All-Atom Force-Fields in Modeling Protein Disordered States
- (2014) Ferruccio Palazzesi et al. Journal of Chemical Theory and Computation
- 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
- Statistical Mechanics of the Denatured State of a Protein Using Replica-Averaged Metadynamics
- (2014) Carlo Camilloni et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Protein Conformational Populations and Functionally Relevant Substates
- (2013) Arvind Ramanathan et al. ACCOUNTS OF CHEMICAL RESEARCH
- PLUMED 2: New feathers for an old bird
- (2013) Gareth A. Tribello et al. COMPUTER PHYSICS COMMUNICATIONS
- 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
- Replica-Averaged Metadynamics
- (2013) Carlo Camilloni et al. Journal of Chemical Theory and Computation
- Variational Optimization of an All-Atom Implicit Solvent Force Field To Match Explicit Solvent Simulation Data
- (2013) Sandro Bottaro et al. Journal of Chemical Theory and Computation
- Lennard-Jones Lattice Summation in Bilayer Simulations Has Critical Effects on Surface Tension and Lipid Properties
- (2013) Christian L. Wennberg et al. Journal of Chemical Theory and Computation
- Metadynamics with Adaptive Gaussians
- (2012) Davide Branduardi et al. Journal of Chemical Theory and Computation
- 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
- (2012) Robert B. Best et al. Journal of Chemical Theory and Computation
- Characterization of the Conformational Equilibrium between the Two Major Substates of RNase A Using NMR Chemical Shifts
- (2012) Carlo Camilloni et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- How Robust Are Protein Folding Simulations with Respect to Force Field Parameterization?
- (2011) Stefano Piana et al. BIOPHYSICAL JOURNAL
- Fast and Accurate Predictions of Protein NMR Chemical Shifts from Interatomic Distances
- (2009) Kai J. Kohlhoff et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method
- (2008) Alessandro Barducci et al. PHYSICAL REVIEW LETTERS
- P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation
- (2007) Berk Hess Journal of Chemical Theory and Computation
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started