(Q36060565)

11 August 2017

Prediction of SAMPL3 host-guest affinities with the binding energy distribution analysis method (BEDAM). (English)

1 reference

11 August 2017

Emilio Gallicchio

1

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author name string

Ronald M Levy

series ordinal

2

1 reference

11 August 2017

22 February 2012

1 reference

Journal of Computer - Aided Molecular Design

11 August 2017

1 reference

11 August 2017

26

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11 August 2017

5

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11 August 2017

505-516

1 reference

https://scigraph.springernature.com/pub.10.1007/s10822-012-9552-3

11 August 2017

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Blind prediction of host-guest binding affinities: a new SAMPL3 challenge.

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New ultrahigh affinity host-guest complexes of cucurbit[7]uril with bicyclo[2.2.2]octane and adamantane guests: thermodynamic analysis and evaluation of M2 affinity calculations

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2 October 2017

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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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Good practices in free-energy calculations

21 January 2018

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21 January 2018

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PubMed

https://pubmed.ncbi.nlm.nih.gov/22354755

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S10822-012-9552-3

1 reference

journals/jcamd/GallicchioL12

11 August 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

11 August 2017

1 reference

PMCID

3383899