(Q36088442)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22570416%20AND%20SRC:MED&resulttype=core&format=json

31 January 2020

title

H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22570416%20AND%20SRC:MED&resulttype=core&format=json

31 January 2020

0 references

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22570416%20AND%20SRC:MED&resulttype=core&format=json

31 January 2020

author name string

Boris Aguilar

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22570416%20AND%20SRC:MED&resulttype=core&format=json

31 January 2020

Alexey V Onufriev

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22570416%20AND%20SRC:MED&resulttype=core&format=json

31 January 2020

language of work or name

English

0 references

publication date

8 May 2012

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22570416%20AND%20SRC:MED&resulttype=core&format=json

31 January 2020

published in

Nucleic Acids Research

1 reference

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31 January 2020

volume

40

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22570416%20AND%20SRC:MED&resulttype=core&format=json

31 January 2020

issue

Web Server issue

1 reference

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31 January 2020

page(s)

W537-41

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22570416%20AND%20SRC:MED&resulttype=core&format=json

Creative Commons Attribution-NonCommercial 3.0 Unported

31 January 2020

copyright license

start time

5 October 2016

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

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H++: a server for estimating pKas and adding missing hydrogens to macromolecules

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Combining conformational flexibility and continuum electrostatics for calculating pK(a)s in proteins

2 October 2017

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2 October 2017

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pKa calculations suggest storage of an excess proton in a hydrogen-bonded water network in bacteriorhodopsin

2 October 2017

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What are the dielectric "constants" of proteins and how to validate electrostatic models?

2 October 2017

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Biomolecular simulations: recent developments in force fields, simulations of enzyme catalysis, protein-ligand, protein-protein, and protein-nucleic acid noncovalent interactions

2 October 2017

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A Novel View of pH Titration in Biomolecules†

2 October 2017

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2 October 2017

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Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation

2 October 2017

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Prediction of pH-dependent properties of proteins

2 October 2017

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pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model

2 October 2017

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MCCE2: improving protein pKa calculations with extensive side chain rotamer sampling

2 October 2017

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A summary of the measured pK values of the ionizable groups in folded proteins

11 July 2018

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11 July 2018

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11 July 2018

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11 July 2018

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Electrostatic forces in two lysozymes: calculations and measurements of histidine pKa values

11 July 2018

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Electrostatic calculations of the pKa values of ionizable groups in bacteriorhodopsin

11 July 2018

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11 July 2018

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A simple clustering algorithm can be accurate enough for use in calculations of pKs in macromolecules

23 September 2018

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23 September 2018

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23 September 2018

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23 September 2018

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23 September 2018

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23 September 2018

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Interpretation of protein titration curves. Application to lysozyme

21 October 2018

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12 December 2020

On the calculation of pKas in proteins

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12 December 2020

Constant-pH molecular dynamics using continuous titration coordinates

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12 December 2020

pH dependence of light-induced proton release by bacteriorhodopsin

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12 December 2020

Identifiers

DOI

10.1093/NAR/GKS375

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22570416%20AND%20SRC:MED&resulttype=core&format=json

journals/nar/AnandakrishnanAO12

31 January 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22570416%20AND%20SRC:MED&resulttype=core&format=json

31 January 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22570416%20AND%20SRC:MED&resulttype=core&format=json