(Q48887633)

16 February 2018

title

Predicting hydration free energies with chemical accuracy: the SAMPL4 challenge (English)

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16 February 2018

author name string

Lars Sandberg

series ordinal

1

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16 February 2018

publication date

19 February 2014

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16 February 2018

Journal of Computer - Aided Molecular Design

published in

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16 February 2018

volume

28

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16 February 2018

issue

3

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16 February 2018

page(s)

211-219

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16 February 2018

SAMPL4, a blind challenge for computational solvation free energies: the compounds considered

cites work

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9725-3

Interfaces and the driving force of hydrophobic assembly

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9725-3

A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9725-3

van der Waals Volumes and Radii

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9725-3

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9725-3

Intermolecular Nonbonded Contact Distances in Organic Crystal Structures: Comparison with Distances Expected from van der Waals Radii

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9725-3

Binding affinities in the SAMPL3 trypsin and host–guest blind tests estimated with the MM/PBSA and LIE methods

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-014-9725-3

Blind prediction of solvation free energies from the SAMPL4 challenge.

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24550133

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S10822-014-9725-3

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16 February 2018

journals/jcamd/Sandberg14

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

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16 February 2018