(Q30457582)

21 June 2017

Converging free energies of binding in cucurbit[7]uril and octa-acid host-guest systems from SAMPL4 using expanded ensemble simulations (English)

1 reference

21 June 2017

2

Michael R Shirts

1 reference

21 June 2017

Jacob I Monroe

1

1 reference

PubMed ID

24610238

21 June 2017

language of work or name

1 reference

8 March 2014

1 reference

Journal of Computer - Aided Molecular Design

21 June 2017

1 reference

21 June 2017

28

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21 June 2017

4

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21 June 2017

401-415

1 reference

https://scigraph.springernature.com/pub.10.1007/s10822-014-9716-4

21 June 2017

0 references

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21 January 2018

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Free energy simulations: use of reverse cumulative averaging to determine the equilibrated region and the time required for convergence

21 January 2018

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PubMed

https://pubmed.ncbi.nlm.nih.gov/24610238

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S10822-014-9716-4

1 reference

21 June 2017

journals/jcamd/MonroeS14

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

PubMed ID

24610238