Multiscale simulation of small peptides: Consistent conformational sampling in atomistic and coarse-grained models
出版年份 2012 全文链接
标题
Multiscale simulation of small peptides: Consistent conformational sampling in atomistic and coarse-grained models
作者
关键词
-
出版物
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 33, Issue 9, Pages 937-949
出版商
Wiley
发表日期
2012-02-02
DOI
10.1002/jcc.22915
参考文献
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注意：仅列出部分参考文献，下载原文获取全部文献信息。- A Challenge for Peptide Coarse Graining: Transferability of Fragment-Based Models
- (2011) Ozge Engin et al. MACROMOLECULAR THEORY AND SIMULATIONS
- Hybrid Approaches to Coarse-Graining using the VOTCA Package: Liquid Hexane
- (2011) Victor Rühle et al. MACROMOLECULAR THEORY AND SIMULATIONS
- Role of Protein Interactions in Defining HIV-1 Viral Capsid Shape and Stability: A Coarse-Grained Analysis
- (2010) Vinod Krishna et al. BIOPHYSICAL JOURNAL
- Molecular and Nanostructural Mechanisms of Deformation, Strength and Toughness of Spider Silk Fibrils
- (2010) Andrea Nova et al. NANO LETTERS
- Recovering physical potentials from a model protein databank
- (2010) J. W. Mullinax et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Minimalist models for proteins: a comparative analysis
- (2010) Valentina Tozzini QUARTERLY REVIEWS OF BIOPHYSICS
- Molecular Renormalization Group Coarse-Graining of Polymer Chains: Application to Double-Stranded DNA
- (2009) Alexey Savelyev et al. BIOPHYSICAL JOURNAL
- Mechanical Response of Silk Crystalline Units from Force-Distribution Analysis
- (2009) Senbo Xiao et al. BIOPHYSICAL JOURNAL
- Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?
- (2009) Han Wang et al. EUROPEAN PHYSICAL JOURNAL E
- A simple coarse-grained model for self-assembling silk-like protein fibers
- (2009) Marieke Schor et al. FARADAY DISCUSSIONS
- Systematic coarse-graining of molecular models by the Newton inversion method
- (2009) Alexander Lyubartsev et al. FARADAY DISCUSSIONS
- Pairwise energies for polypeptide coarse-grained models derived from atomic force fields
- (2009) Marcos R. Betancourt et al. JOURNAL OF CHEMICAL PHYSICS
- Generic coarse-grained model for protein folding and aggregation
- (2009) Tristan Bereau et al. JOURNAL OF CHEMICAL PHYSICS
- Transferable Coarse Grain Nonbonded Interaction Model for Amino Acids
- (2009) Russell DeVane et al. Journal of Chemical Theory and Computation
- Versatile Object-Oriented Toolkit for Coarse-Graining Applications
- (2009) Victor Rühle et al. Journal of Chemical Theory and Computation
- A Nonradial Coarse-Grained Potential for Proteins Produces Naturally Stable Secondary Structure Elements
- (2009) Davide Alemani et al. Journal of Chemical Theory and Computation
- Coarse-Grained Polymer Melts Based on Isolated Atomistic Chains: Simulation of Polystyrene of Different Tacticities
- (2009) Dominik Fritz et al. MACROMOLECULES
- Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model
- (2009) Alessandra Villa et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation
- (2009) Alessandra Villa et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Multiscale modeling of emergent materials: biological and soft matter
- (2009) Teemu Murtola et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- A coarse-grained potential for fold recognition and molecular dynamics simulations of proteins
- (2009) Peter Májek et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- PRIMO/PRIMONA: A coarse-grained model for proteins and nucleic acids that preserves near-atomistic accuracy
- (2009) Srinivasa M. Gopal et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Multiscale simulation of soft matter systems – from the atomistic to the coarse-grained level and back
- (2009) Christine Peter et al. Soft Matter
- The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models
- (2008) W. G. Noid et al. JOURNAL OF CHEMICAL PHYSICS
- The MARTINI Coarse-Grained Force Field: Extension to Proteins
- (2008) Luca Monticelli et al. Journal of Chemical Theory and Computation
- GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
- (2008) Berk Hess et al. Journal of Chemical Theory and Computation
- Knowledge-Based Potential for the Polypeptide Backbone
- (2008) Marcos R. Betancourt JOURNAL OF PHYSICAL CHEMISTRY B
- Peptide Folding Using Multiscale Coarse-Grained Models
- (2008) Ian F. Thorpe et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Replica exchange simulations of transient encounter complexes in protein-protein association
- (2008) Y. C. Kim et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Large-Scale Molecular Dynamics Simulations of Self-Assembling Systems
- (2008) M. L. Klein et al. SCIENCE
- Classical simulations from the atomistic to the mesoscale and back: coarse graining an azobenzene liquid crystal
- (2008) Christine Peter et al. Soft Matter
- Coarse-grained models of protein folding: toy models or predictive tools?
- (2007) Cecilia Clementi CURRENT OPINION IN STRUCTURAL BIOLOGY
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