(Q48055147)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27480697%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

title

The importance of protonation and tautomerization in relative binding affinity prediction: a comparison of AMBER TI and Schrödinger FEP (English)

1 reference

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20 March 2020

1

1 reference

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20 March 2020

Tai-Sung Lee

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27480697%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

5

Darrin M York

1 reference

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20 March 2020

4

David A Case

1 reference

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20 March 2020

6

Zhuyan Guo

1 reference

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20 March 2020

author name string

Brad Sherborne

series ordinal

2

1 reference

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20 March 2020

publication date

1 July 2016

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27480697%20AND%20SRC:MED&resulttype=core&format=json

Journal of Computer - Aided Molecular Design

20 March 2020

published in

1 reference

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20 March 2020

volume

30

1 reference

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20 March 2020

issue

7

1 reference

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20 March 2020

page(s)

533-539

1 reference

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https://scigraph.springernature.com/pub.10.1007/s10822-016-9920-5

20 March 2020

exact match

0 references

cites work

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21 January 2018

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Benchmarking and validating algorithms that estimate pK(a) values of drugs based on their molecular structures.

21 January 2018

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Discovery of 1-[3-(aminomethyl)phenyl]-N-3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423), a highly potent, selective, and orally bioavailable inhibitor of blood coagulation factor Xa.

21 January 2018

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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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21 January 2018

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21 January 2018

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PubMed

https://pubmed.ncbi.nlm.nih.gov/27480697

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S10822-016-9920-5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27480697%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

DBLP publication ID

journals/jcamd/HuSLCYG16

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27480697%20AND%20SRC:MED&resulttype=core&format=json

20 March 2020

PubMed publication ID

27480697

1 reference