Constrained Unfolding of a Helical Peptide: Implicit versus Explicit Solvents
Published 2015 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Constrained Unfolding of a Helical Peptide: Implicit versus Explicit Solvents
Authors
Keywords
-
Journal
PLoS One
Volume 10, Issue 5, Pages e0127034
Publisher
Public Library of Science (PLoS)
Online
2015-05-14
DOI
10.1371/journal.pone.0127034
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Multiple branched adaptive steered molecular dynamics
- (2014) Gungor Ozer et al. JOURNAL OF CHEMICAL PHYSICS
- Thermodynamics of Deca-alanine Folding in Water
- (2014) Anthony Hazel et al. Journal of Chemical Theory and Computation
- Free Enthalpy Differences between α-, π-, and 310-Helices of an Atomic Level Fine-Grained Alanine Deca-Peptide Solvated in Supramolecular Coarse-Grained Water
- (2013) Zhixiong Lin et al. Journal of Chemical Theory and Computation
- RNA/Peptide Binding Driven by Electrostatics—Insight from Bidirectional Pulling Simulations
- (2013) Trang N. Do et al. Journal of Chemical Theory and Computation
- Steered transition path sampling
- (2012) Nicholas Guttenberg et al. JOURNAL OF CHEMICAL PHYSICS
- Adaptive steered molecular dynamics: Validation of the selection criterion and benchmarking energetics in vacuum
- (2012) Gungor Ozer et al. JOURNAL OF CHEMICAL PHYSICS
- Implicit Solvent Models and Stabilizing Effects of Mutations and Ligands on the Unfolding of the Amyloid β-Peptide Central Helix
- (2012) Alok Juneja et al. Journal of Chemical Theory and Computation
- Thermodynamics of Decaalanine Stretching in Water Obtained by Adaptive Steered Molecular Dynamics Simulations
- (2012) Gungor Ozer et al. Journal of Chemical Theory and Computation
- Estimation of Free-Energy Differences from Computed Work Distributions: An Application of Jarzynski’s Equality
- (2012) Ignacia Echeverria et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Parallel-pulling protocol for free-energy evaluation
- (2012) Van A. Ngo PHYSICAL REVIEW E
- MDAnalysis: A toolkit for the analysis of molecular dynamics simulations
- (2011) Naveen Michaud-Agrawal et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Sequence-structure correlations in silk: Poly-Ala repeat of N. clavipes MaSp1 is naturally optimized at a critical length scale
- (2011) Graham Bratzel et al. Journal of the Mechanical Behavior of Biomedical Materials
- Drift-oscillatory steering with the forward-reverse method for calculating the potential of mean force
- (2011) Mostafa NategholEslam et al. PHYSICAL REVIEW E
- Stable and Metastable States of Human Amylin in Solution
- (2010) Allam S. Reddy et al. BIOPHYSICAL JOURNAL
- Solution Structures of Rat Amylin Peptide: Simulation, Theory, and Experiment
- (2010) Allam S. Reddy et al. BIOPHYSICAL JOURNAL
- A classical molecular dynamics investigation of the free energy and structure of short polyproline conformers
- (2010) Mahmoud Moradi et al. JOURNAL OF CHEMICAL PHYSICS
- Adaptive Steered Molecular Dynamics of the Long-Distance Unfolding of Neuropeptide Y
- (2010) Gungor Ozer et al. Journal of Chemical Theory and Computation
- Three-Dimensional Molecular Theory of Solvation Coupled with Molecular Dynamics in Amber
- (2010) Tyler Luchko et al. Journal of Chemical Theory and Computation
- Structure and dynamics of human vimentin intermediate filament dimer and tetramer in explicit and implicit solvent models
- (2010) Zhao Qin et al. JOURNAL OF MOLECULAR MODELING
- An Improved Strategy for Generating Forces in Steered Molecular Dynamics: The Mechanical Unfolding of Titin, e2lip3 and Ubiquitin
- (2010) Bosco K. Ho et al. PLoS One
- Helix propensities calculations for amino acids in alanine based peptides using Jarzynski's equality
- (2009) Ignacia Echeverria et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- A Multiscale Treatment of Angeli’s Salt Decomposition
- (2008) Juan Torras et al. Journal of Chemical Theory and Computation
- Implicit modeling of nonpolar solvation for simulating protein folding and conformational transitions
- (2007) Jianhan Chen et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now