(Q44380535)

2 December 2017

title

Paramfit: automated optimization of force field parameters for molecular dynamics simulations (English)

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2 December 2017

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Robin M Betz

1

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2 December 2017

Ross C Walker

series ordinal

2

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2 December 2017

publication date

21 November 2014

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Journal of Computational Chemistry

2 December 2017

published in

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2 December 2017

volume

36

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2 December 2017

issue

2

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2 December 2017

page(s)

79-87

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AMBER: Assisted model building with energy refinement. A general program for modeling molecules and their interactions

2 December 2017

cites work

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Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

21 January 2018

1 reference

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

21 January 2018

1 reference

Derivation and systematic validation of a refined all-atom force field for phosphatidylcholine lipids

21 January 2018

1 reference

Automated conformational energy fitting for force-field development.

21 January 2018

1 reference

Development and testing of a general amber force field

21 January 2018

1 reference

Automation of the CHARMM General Force Field (CGenFF) II: assignment of bonded parameters and partial atomic charges.

21 January 2018

1 reference

Molecular dynamics simulation of unsaturated lipid bilayers at low hydration: parameterization and comparison with diffraction studies

21 January 2018

1 reference

Wolf2Pack--portal based atomistic force-field development.

21 January 2018

1 reference

Rapid parameterization of small molecules using the Force Field Toolkit

21 January 2018

1 reference

AUTOMATED FORCE FIELD PARAMETERIZATION FOR NON-POLARIZABLE AND POLARIZABLE ATOMIC MODELS BASED ON AB INITIO TARGET DATA

21 January 2018

1 reference

Lipid14: The Amber Lipid Force Field.

21 January 2018

1 reference

A genetic algorithm tutorial

21 January 2018

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Comparison of multiple Amber force fields and development of improved protein backbone parameters

21 January 2018

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Quality Criteria of Genetic Algorithms for Structure Optimization

21 January 2018

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI970430H

31 July 2023

Identifiers

DOI

10.1002/JCC.23775

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2 December 2017

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DBLP Dataset 2021-01-02

28 January 2021

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