Free Energy Calculations of Mutations Involving a Tightly Bound Water Molecule and Ligand Substitutions in a Ligand-Protein Complex. (Q30156028)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27463454%20AND%20SRC:MED&resulttype=core&format=json

19 March 2020

title

Free Energy Calculations of Mutations Involving a Tightly Bound Water Molecule and Ligand Substitutions in a Ligand-Protein Complex (English)

1 reference

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19 March 2020

author

Alfonso T. García-Sosa

1

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19 March 2020

Ricardo L Mancera

2

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19 March 2020

author name string

Alfonso T García-Sosa

1

1 reference

8 June 2017

Ricardo L Mancera

2

1 reference

8 June 2017

30 August 2010

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19 March 2020

published in

Molecular Informatics

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19 March 2020

volume

29

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19 March 2020

issue

8-9

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19 March 2020

page(s)

589-600

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Epik: a software program for pK( a ) prediction and protonation state generation for drug-like molecules

19 March 2020

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Identifiers

DOI

10.1002/MINF.201000007

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27463454%20AND%20SRC:MED&resulttype=core&format=json

19 March 2020

1 reference