COSMIC(90): An improved molecular mechanics treatment of hydrocarbons and conjugated systems (Q67822568)

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18 September 2019

title

COSMIC(90): an improved molecular mechanics treatment of hydrocarbons and conjugated systems (English)

1 reference

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18 September 2019

COSMIC(90): An improved molecular mechanics treatment of hydrocarbons and conjugated systems (English)

1 reference

19 November 2022

1 reference

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19 November 2022

author name string

S. D. Morley

1

1 reference

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19 November 2022

R. J. Abraham

2

1 reference

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19 November 2022

I. S. Haworth

3

1 reference

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19 November 2022

D. E. Jackson

4

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19 November 2022

M. R. Saunders

5

1 reference

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19 November 2022

J. G. Vinter

6

1 reference

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19 November 2022

language of work or name

English

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National Center for Biotechnology Information

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19 November 2022

publication date

1 October 1991

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full work available at URL

18 September 2019

http://link.springer.com/content/pdf/10.1007/BF00125666.pdf

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http://link.springer.com/article/10.1007/BF00125666/fulltext.html

19 November 2022

1 reference

http://link.springer.com/content/pdf/10.1007/BF00125666

19 November 2022

1 reference

Journal of Computer - Aided Molecular Design

19 November 2022

published in

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18 September 2019

volume

5

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18 September 2019

issue

5

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18 September 2019

page(s)

475-504

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Charge calculations in molecular mechanics 6: the calculation of partial atomic charges in nucleic acid bases and the electrostatic contribution to DNA base pairing

18 September 2019

cites work

1 reference

12 December 2020

A modification to the COSMIC parameterisation using ab initio constrained potential functions.

1 reference

12 December 2020

Charge calculations in molecular mechanics 7: application to polar pi systems incorporating nitro, cyano, amino, C=S and thio substituents

1 reference

12 December 2020

The thermodynamic properties and molecular structure of cyclohexane, methylcyclohexane, ethylcyclonexane and the seven dimethylcyclohexanes

1 reference

12 December 2020

Strategic approaches to drug design. I. An integrated software framework for molecular modelling

1 reference

12 December 2020

Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms

2

1 reference

A new force field for molecular mechanical simulation of nucleic acids and proteins

19 November 2022

9

1 reference

An all atom force field for simulations of proteins and nucleic acids

19 November 2022

10

1 reference

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

19 November 2022

11

1 reference

19 November 2022

12

16

399

T.L. Hill

1948

1 reference

Molecular mechanics. The MM3 force field for hydrocarbons. 3. The van der Waals' potentials and crystal data for aliphatic and aromatic hydrocarbons

19 November 2022

15

1 reference

19 November 2022

Identifiers

DOI

10.1007/BF00125666

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:1770382 AND SRC:MED&resulttype=core&format=json

journals/jcamd/MorleyAHJSV91

18 September 2019

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference