On developing coarse-grained models for biomolecular simulation: a review.
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Comparative Normal Mode Analysis of the Dynamics of DENV and ZIKV CapsidsMetal Ion Modeling Using Classical MechanicsSimGen: A General Simulation Method for Large SystemsTheoretical frameworks for multiscale modeling and simulationCoarse-grained model for colloidal protein interactions, B(22), and protein cluster formation.Solvent-Free, Highly Coarse-Grained Models for Charged Lipid Systems.COFFDROP: A Coarse-Grained Nonbonded Force Field for Proteins Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of Amino AcidsMultiscale Particle-Based Modeling of Flowing Platelets in Blood Plasma Using Dissipative Particle Dynamics and Coarse Grained Molecular Dynamics.A phenomenological particle-based platelet model for simulating filopodia formation during early activationSimulation and Theory of Antibody Binding to Crowded Antigen-Covered Surfaces.Enhanced Sampling of an Atomic Model with Hybrid Nonequilibrium Molecular Dynamics-Monte Carlo Simulations Guided by a Coarse-Grained ModelMulti-resolution simulation of biomolecular systems: a review of methodological issues.Perspective: Coarse-grained models for biomolecular systems.Foundations for modeling the dynamics of gene regulatory networks: a multilevel-perspective review.A theoretical view of protein dynamics.A multiscale view of therapeutic protein aggregation: a colloid science perspective.Computational resources and strategies to construct single-molecule metabolic models of microbial cells.Improved accuracy of hybrid atomistic/coarse-grained simulations using reparametrised interactions.Hierarchical atom type definitions and extensible all-atom force fields.Tabulation as a high-resolution alternative to coarse-graining protein interactions: Initial application to virus capsid subunits.Dynamic force matching: A method for constructing dynamical coarse-grained models with realistic time dependence.Cutoff lensing: predicting catalytic sites in enzymes.A coarse-grained MARTINI-like force field for DNA unzipping in nanopores.Coarse-grained simulations of protein-protein association: an energy landscape perspective.Parametrization of Backbone Flexibility in a Coarse-Grained Force Field for Proteins (COFFDROP) Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of All Possible Two-Residue Peptides.Tunable Coarse Graining for Monte Carlo Simulations of Proteins via Smoothed Energy Tables: Direct and Exchange Simulations.Minimum action transition paths connecting minima on an energy surface.The impact of resolution upon entropy and information in coarse-grained models.Dynamic force matching: Construction of dynamic coarse-grained models with realistic short time dynamics and accurate long time dynamics.Computing the non-Markovian coarse-grained interactions derived from the Mori-Zwanzig formalism in molecular systems: Application to polymer melts.Quantum mechanics/coarse-grained molecular mechanics (QM/CG-MM).Extending pressure-matching to inhomogeneous systems via local-density potentials.Non-conformal coarse-grained potentials for water.Multisequence algorithm for coarse-grained biomolecular simulations: Exploring the sequence-structure relationship of proteins.Co-assembly behaviour of Janus nanoparticles and amphiphilic block copolymers in dilute solution.Thermodynamics of atomistic and coarse-grained models of water on nonpolar surfaces.Protein simulation using coarse-grained two-bead multipole force field with polarizable water models.Extending the range and physical accuracy of coarse-grained models: Order parameter dependent interactions.Hydration Properties and Solvent Effects for All-Atom Solutes in Polarizable Coarse-Grained Water.The derivation and approximation of coarse-grained dynamics from Langevin dynamics.
P2860
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P2860
On developing coarse-grained models for biomolecular simulation: a review.
description
article científic
@ca
article scientifique
@fr
articol științific
@ro
articolo scientifico
@it
artigo científico
@gl
artigo científico
@pt
artigo científico
@pt-br
artikel ilmiah
@id
artikull shkencor
@sq
artículo científico
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name
On developing coarse-grained models for biomolecular simulation: a review.
@en
type
label
On developing coarse-grained models for biomolecular simulation: a review.
@en
prefLabel
On developing coarse-grained models for biomolecular simulation: a review.
@en
P2860
P50
P356
P1476
On developing coarse-grained models for biomolecular simulation: a review.
@en
P2093
Wilfred F van Gunsteren
P2860
P304
12423-12430
P356
10.1039/C2CP40934H
P407
P577
2012-06-08T00:00:00Z