(Q34503075)

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COFFDROP: A Coarse-Grained Nonbonded Force Field for Proteins Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of Amino Acids

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Europe PubMed Central

PubMed publication ID

2 August 2017

COFFDROP: A Coarse-Grained Nonbonded Force Field for Proteins Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of Amino Acids (English)

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Europe PubMed Central

PubMed publication ID

2 August 2017

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Adrian H Elcock

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Adrian H Elcock

2

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Casey T Andrews

1

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Europe PubMed Central

PubMed publication ID

2 August 2017

publication date

7 October 2014

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Europe PubMed Central

PubMed publication ID

2 August 2017

Journal of Chemical Theory and Computation

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Europe PubMed Central

PubMed publication ID

2 August 2017

10

1 reference

Europe PubMed Central

PubMed publication ID

2 August 2017

11

1 reference

Europe PubMed Central

PubMed publication ID

2 August 2017

5178-5194

1 reference

Europe PubMed Central

PubMed publication ID

2 August 2017

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

1 reference

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Improved Parameters for the Martini Coarse-Grained Protein Force Field.

1 reference

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MagiC: Software Package for Multiscale Modeling.

1 reference

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The power of coarse graining in biomolecular simulations.

1 reference

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1 reference

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Molecular dynamics simulations of highly crowded amino acid solutions: comparisons of eight different force field combinations with experiment and with each other

1 reference

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An experimentally-informed coarse-grained 3-Site-Per-Nucleotide model of DNA: structure, thermodynamics, and dynamics of hybridization

1 reference

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Perspective: Coarse-grained models for biomolecular systems

1 reference

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Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics

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Coarse-graining methods for computational biology

1 reference

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1 reference

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Comparison of Secondary Structure Formation Using 10 Different Force Fields in Microsecond Molecular Dynamics Simulations

1 reference

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Are Protein Force Fields Getting Better? A Systematic Benchmark on 524 Diverse NMR Measurements

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On developing coarse-grained models for biomolecular simulation: a review

1 reference

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Systematic validation of protein force fields against experimental data

1 reference

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Coarse-grained molecular simulations of large biomolecules

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Moving beyond Watson-Crick models of coarse grained DNA dynamics.

1 reference

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Capturing the essence of folding and functions of biomolecules using coarse-grained models

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Multiscale ensemble modeling of intrinsically disordered proteins: p53 N-terminal domain

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Coarse-grained modeling for macromolecular chemistry

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Brownian dynamics simulation of protein solutions: structural and dynamical properties

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Absolute protein-protein association rate constants from flexible, coarse-grained Brownian dynamics simulations: the role of intermolecular hydrodynamic interactions in barnase-barstar association

1 reference

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Coarse-grained (multiscale) simulations in studies of biophysical and chemical systems

1 reference

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Atomic-Level Characterization of the Structural Dynamics of Proteins

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Scrutinizing molecular mechanics force fields on the submicrosecond timescale with NMR data

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Multiscale coarse-graining of the protein energy landscape

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Polarizable water model for the coarse-grained MARTINI force field

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An implicit solvent coarse-grained lipid model with correct stress profile

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Generic coarse-grained model for protein folding and aggregation.

1 reference

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Insights from coarse-grained Gō models for protein folding and dynamics

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Multiscale modeling of emergent materials: biological and soft matter

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1 reference

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1 reference

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10.1021/CT5006328

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Europe PubMed Central

PubMed publication ID

2 August 2017

PMC publication ID

1 reference

Europe PubMed Central

PubMed publication ID

2 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

2 August 2017

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