(Q23912726)

English

Estimation of the absolute internal-rotation entropy of molecules with two torsional degrees of freedom from stochastic simulations

journal article published in 2005

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19 July 2017

Estimation of the absolute internal-rotation entropy of molecules with two torsional degrees of freedom from stochastic simulations (English)

1 reference

12 July 2017

NIOSH Health Effects Laboratory Division

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HELD

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25 September 2023

2 references

19 July 2017

29 March 2020

5

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Vladimir Hnizdo

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2

object named as

Vladimir Hnizdo

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author name string

Eva Darian

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1

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Adam Fedorowicz

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3

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Harshinder Singh

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4

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language of work or name

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2005

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published in

Journal of Computational Chemistry

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volume

26

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issue

7

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page(s)

651-660

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on focus list of Wikimedia project

Wikimedia–NIOSH collaboration

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cites work

Molecular dynamics and continuum solvent studies of the stability of polyG-polyC and polyA-polyT DNA duplexes in solution.

1 reference

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Crossref

reference URL

https://api.crossref.org/works/10.1002%2FJCC.20198

retrieved

21 January 2018

Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1002%2FJCC.20198

retrieved

7 January 2021

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Converging free energy estimates: MM-PB(GB)SA studies on the protein-protein complex Ras-Raf.

1 reference

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reference URL

https://api.crossref.org/works/10.1002%2FJCC.20198

retrieved

7 January 2021

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Thermodynamics of a reverse turn motif. Solvent effects and side-chain packing

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https://api.crossref.org/works/10.1002%2FJCC.20198

retrieved

7 January 2021

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Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model

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Crossref

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https://api.crossref.org/works/10.1002%2FJCC.20198

retrieved

7 January 2021

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Use of MM-PBSA in reproducing the binding free energies to HIV-1 RT of TIBO derivatives and predicting the binding mode to HIV-1 RT of efavirenz by docking and MM-PBSA.

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1002%2FJCC.20198

retrieved

7 January 2021

based on heuristic

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Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1002%2FJCC.20198

retrieved

7 January 2021

based on heuristic

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Statistical thermodynamics of hindered rotation from computer simulations

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1002%2FJCC.20198

retrieved

7 January 2021

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Identifiers

DOI

10.1002/JCC.20198

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DBLP publication ID

journals/jcc/DarianHFSD05

1 reference

stated in

DBLP Dataset 2021-01-02

retrieved

28 January 2021

NIOSHTIC-2 ID

20026343

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PubMed publication ID

15751106

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(Q23912726)

Estimation of the absolute internal-rotation entropy of molecules with two torsional degrees of freedom from stochastic simulations

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