CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields (Q24632987)

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1 February 2020

title

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields (English)

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Alex MacKerell

11

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author name string

E Hatcher

2

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C Acharya

3

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S Kundu

4

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S Zhong

5

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J Shim

6

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E Darian

7

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O Guvench

8

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P Lopes

9

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I Vorobyov

10

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language of work or name

English

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publication date

1 March 2010

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Journal of Computational Chemistry

1 February 2020

published in

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volume

31

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issue

4

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page(s)

671-690

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CHARMM: the biomolecular simulation program

1 February 2020

cites work

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Intrinsic conformational energetics associated with the glycosyl torsion in DNA: a quantum mechanical study

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Alcohols, ethers, carbohydrates, and related compounds. I. The MM4 force field for simple compounds

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An ab Initio Study on the Torsional Surface of Alkanes and Its Effect on Molecular Simulations of Alkanes and a DPPC Bilayer

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Additive and Classical Drude Polarizable Force Fields for Linear and Cyclic Ethers

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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

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Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

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Identifiers

DOI

10.1002/JCC.21367

2 references

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journals/jcc/VanommeslaegheHAKZSDGLVM10

1 February 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

2 references

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1 February 2020

PubMed publication ID

19575467

2 references