标题
A Challenge for Peptide Coarse Graining: Transferability of Fragment-Based Models
作者
关键词
-
出版物
MACROMOLECULAR THEORY AND SIMULATIONS
Volume 20, Issue 7, Pages 451-465
出版商
Wiley
发表日期
2011-06-20
DOI
10.1002/mats.201100005
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。- Hybrid simulations: combining atomistic and coarse-grained force fields using virtual sites
- (2011) Andrzej J. Rzepiela et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Transferability of Nonbonded Interaction Potentials for Coarse-Grained Simulations: Benzene in Water
- (2010) Alessandra Villa et al. Journal of Chemical Theory and Computation
- Protein Backbone Dynamics Simulations Using Coarse-Grained Bonded Potentials and Simplified Hydrogen Bonds
- (2010) Tap Ha-Duong Journal of Chemical Theory and Computation
- Coarse-Grained Potential Models for Phenyl-Based Molecules: I. Parametrization Using Experimental Data
- (2010) Russell DeVane et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Multiscale Coarse-Graining of the Protein Energy Landscape
- (2010) Ronald D. Hills et al. PLoS Computational Biology
- Self assembly of peptides near or within membranes using coarse grained MD simulations
- (2009) A. Khalfa et al. CHEMICAL PHYSICS
- Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment
- (2009) B. M. Mognetti et al. JOURNAL OF CHEMICAL PHYSICS
- Systematic coarse graining from structure using internal states: Application to phospholipid/cholesterol bilayer
- (2009) Teemu Murtola et al. JOURNAL OF CHEMICAL PHYSICS
- Evaluating the transferability of coarse-grained, density-dependent implicit solvent models to mixtures and chains
- (2009) Erik C. Allen et al. JOURNAL OF CHEMICAL PHYSICS
- The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperatures
- (2009) Vinod Krishna et al. JOURNAL OF CHEMICAL PHYSICS
- Extended ensemble approach for deriving transferable coarse-grained potentials
- (2009) J. W. Mullinax 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
- Recent advances in peptide probe-based biosensors for detection of infectious agents
- (2009) Jason E. Dover et al. JOURNAL OF MICROBIOLOGICAL METHODS
- 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
- Multiscale simulation of soft matter systems – from the atomistic to the coarse-grained level and back
- (2009) Christine Peter et al. Soft Matter
- Matrices of Acidicβ-Sheet Peptides as Templates for Calcium Phosphate Mineralization
- (2008) Shlomit Segman-Magidovich et al. ADVANCED MATERIALS
- A Peptide-Based, Ratiometric Biosensor Construct for Direct Fluorescence Detection of a Protein Analyte
- (2008) Karin Enander et al. BIOCONJUGATE CHEMISTRY
- A Systematic Methodology for Defining Coarse-Grained Sites in Large Biomolecules
- (2008) Zhiyong Zhang et al. BIOPHYSICAL JOURNAL
- A novel algorithm for creating coarse-grained, density dependent implicit solvent models
- (2008) Erik C. Allen et al. JOURNAL OF CHEMICAL PHYSICS
- 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
- Modeling of Aqueous Poly(oxyethylene) Solutions. 2. Mesoscale Simulations
- (2008) Jan Fischer et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Modeling Self-Assembly Processes Driven by Nonbonded Interactions in Soft Materials†
- (2008) Martin McCullagh et al. JOURNAL OF PHYSICAL CHEMISTRY B
- 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
- Prediction of Partition Coefficients by Multiscale Hybrid Atomic-Level/Coarse-Grain Simulations
- (2007) Julien Michel et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Solvent effects on the conformational transition of a model polyalanine peptide
- (2004) Hung D. Nguyen et al. PROTEIN SCIENCE
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowAsk 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