Lightweight object oriented structure analysis: Tools for building tools to analyze molecular dynamics simulations
出版年份 2014 全文链接
标题
Lightweight object oriented structure analysis: Tools for building tools to analyze molecular dynamics simulations
作者
关键词
-
出版物
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 35, Issue 32, Pages 2305-2318
出版商
Wiley
发表日期
2014-10-18
DOI
10.1002/jcc.23753
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。- Unknown Unknowns: the Challenge of Systematic and Statistical Error in Molecular Dynamics Simulations
- (2014) Tod D. Romo et al. BIOPHYSICAL JOURNAL
- ST-analyzer: A web-based user interface for simulation trajectory analysis
- (2014) Jong Cheol Jeong et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Structure-based simulations reveal concerted dynamics of GPCR activation
- (2014) Nicholas Leioatts et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Simulating the Mechanism of Antimicrobial Lipopeptides with All-Atom Molecular Dynamics
- (2013) Joshua N. Horn et al. BIOCHEMISTRY
- PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data
- (2013) Daniel R. Roe et al. Journal of Chemical Theory and Computation
- Grcarma: A fully automated task-oriented interface for the analysis of molecular dynamics trajectories
- (2013) Panagiotis I. Koukos et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- The interplay of structure and dynamics: Insights from a survey of HIV-1 reverse transcriptase crystal structures
- (2013) James M. Seckler et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Elastic Network Models Are Robust to Variations in Formalism
- (2012) Nicholas Leioatts et al. Journal of Chemical Theory and Computation
- Membrane binding of an acyl-lactoferricin B antimicrobial peptide from solid-state NMR experiments and molecular dynamics simulations
- (2011) Tod D. Romo et al. BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
- Characterization of a potent antimicrobial lipopeptide via coarse-grained molecular dynamics
- (2011) Joshua N. Horn et al. BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
- Block Covariance Overlap Method and Convergence in Molecular Dynamics Simulation
- (2011) Tod D. Romo et al. Journal of Chemical Theory and Computation
- Statistical Convergence of Equilibrium Properties in Simulations of Molecular Solutes Embedded in Lipid Bilayers
- (2011) Chris Neale et al. Journal of Chemical Theory and Computation
- MDAnalysis: A toolkit for the analysis of molecular dynamics simulations
- (2011) Naveen Michaud-Agrawal et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Longer simulations sample larger subspaces of conformations while maintaining robust mechanisms of motion
- (2011) Lin Liu et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Concerted Interconversion between Ionic Lock Substates of the β2 Adrenergic Receptor Revealed by Microsecond Timescale Molecular Dynamics
- (2010) Tod D. Romo et al. BIOPHYSICAL JOURNAL
- Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types
- (2010) Jeffery B. Klauda et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Validating and improving elastic network models with molecular dynamics simulations
- (2010) Tod D. Romo et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Protein elastic network models and the ranges of cooperativity
- (2009) L. Yang et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- The intrinsic dynamics of enzymes plays a dominant role in determining the structural changes induced upon inhibitor binding
- (2009) A. Bakan et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Vibrational subsystem analysis: A method for probing free energies and correlations in the harmonic limit
- (2008) H. Lee Woodcock et al. JOURNAL OF CHEMICAL PHYSICS
- Internal Hydration Increases during Activation of the G-Protein-Coupled Receptor Rhodopsin
- (2008) Alan Grossfield et al. JOURNAL OF MOLECULAR BIOLOGY
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started