Distance-Based Configurational Entropy of Proteins from Molecular Dynamics Simulations
Published 2015 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Distance-Based Configurational Entropy of Proteins from Molecular Dynamics Simulations
Authors
Keywords
-
Journal
PLoS One
Volume 10, Issue 7, Pages e0132356
Publisher
Public Library of Science (PLoS)
Online
2015-07-16
DOI
10.1371/journal.pone.0132356
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Probing the Influence of Citrate-Capped Gold Nanoparticles on an Amyloidogenic Protein
- (2015) Giorgia Brancolini et al. ACS Nano
- Thermodynamics of Water in an Enzyme Active Site: Grid-Based Hydration Analysis of Coagulation Factor Xa
- (2014) Crystal N. Nguyen et al. Journal of Chemical Theory and Computation
- Correlation as a Determinant of Configurational Entropy in Supramolecular and Protein Systems
- (2014) Andrew T. Fenley et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Comparing distance metrics for rotation using thek-nearest neighbors algorithm for entropy estimation
- (2013) David J. Huggins JOURNAL OF COMPUTATIONAL CHEMISTRY
- Single-shot NMR measurement of protein unfolding landscapes
- (2012) Enrico Rennella et al. BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS
- Grid inhomogeneous solvation theory: Hydration structure and thermodynamics of the miniature receptor cucurbit[7]uril
- (2012) Crystal N. Nguyen et al. JOURNAL OF CHEMICAL PHYSICS
- Determining the Energy Landscape of Proteins by a Fast Isotope Exchange NMR Approach
- (2012) Enrico Rennella et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations
- (2012) R. Anandakrishnan et al. NUCLEIC ACIDS RESEARCH
- Systematic Validation of Protein Force Fields against Experimental Data
- (2012) Kresten Lindorff-Larsen et al. PLoS One
- How Robust Are Protein Folding Simulations with Respect to Force Field Parameterization?
- (2011) Stefano Piana et al. BIOPHYSICAL JOURNAL
- Role of Dynamics in the Autoinhibition and Activation of the Exchange Protein Directly Activated by Cyclic AMP (EPAC)
- (2011) Bryan VanSchouwen et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Entropy Balance in the Intercalation Process of an Anti-Cancer Drug Daunomycin
- (2011) Arnab Mukherjee Journal of Physical Chemistry Letters
- Statistical mechanics and molecular dynamics in evaluating thermodynamic properties of biomolecular recognition
- (2011) Jeff Wereszczynski et al. QUARTERLY REVIEWS OF BIOPHYSICS
- Nearest Neighbor Estimates of Entropy for Multivariate Circular Distributions
- (2010) Neeraj Misra et al. Entropy
- Thermodynamic and Differential Entropy under a Change of Variables
- (2010) Vladimir Hnizdo et al. Entropy
- ProMetCS: An Atomistic Force Field for Modeling Protein−Metal Surface Interactions in a Continuum Aqueous Solvent
- (2010) Daria B. Kokh et al. Journal of Chemical Theory and Computation
- Molecular dynamics simulation of β2-microglobulin in denaturing and stabilizing conditions
- (2010) Federico Fogolari et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Theory of Free Energy and Entropy in Noncovalent Binding
- (2009) Huan-Xiang Zhou et al. CHEMICAL REVIEWS
- Thermodynamic Properties of Liquid Water: An Application of a Nonparametric Approach to Computing the Entropy of a Neat Fluid
- (2009) Lingle Wang et al. Journal of Chemical Theory and Computation
- Metrics for 3D Rotations: Comparison and Analysis
- (2009) Du Q. Huynh JOURNAL OF MATHEMATICAL IMAGING AND VISION
- Entropy-driven cAMP-dependent Allosteric Control of Inhibitory Interactions in Exchange Proteins Directly Activated by cAMP
- (2008) Rahul Das et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Efficient calculation of configurational entropy from molecular simulations by combining the mutual-information expansion and nearest-neighbor methods
- (2008) Vladimir Hnizdo et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- GolP: An atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water
- (2008) F. Iori et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- The solution structure of human β2-microglobulin reveals the prodromes of its amyloid transition
- (2002) Giuliana Verdone et al. PROTEIN SCIENCE
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExplorePublish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn More