(Q33953525)

30 July 2017

title

Surveying implicit solvent models for estimating small molecule absolute hydration free energies (English)

1 reference

30 July 2017

Jennifer L Knight

1

1 reference

30 July 2017

Charles L Brooks

series ordinal

2

1 reference

30 July 2017

publication date

6 July 2011

1 reference

Journal of Computational Chemistry

30 July 2017

published in

1 reference

30 July 2017

volume

32

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30 July 2017

issue

13

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30 July 2017

page(s)

2909-2923

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Effective Approximation of Molecular Volume Using Atom-Centered Dielectric Functions in Generalized Born Models

30 July 2017

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5 July 2018

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5 July 2018

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5 July 2018

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5 July 2018

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5 July 2018

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5 July 2018

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5 July 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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PubMed

https://pubmed.ncbi.nlm.nih.gov/21735452

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21735452

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Functionality pattern matching as an efficient complementary structure/reaction search tool: an open-source approach

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21735452

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1002/JCC.21876

1 reference

30 July 2017

DBLP publication ID

journals/jcc/KnightB11

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

30 July 2017

1 reference