(Q47431525)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29111708%20AND%20SRC:MED&resulttype=core&format=json

9 April 2020

title

Group Additivity in Ligand Binding Affinity: An Alternative Approach to Ligand Efficiency (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29111708%20AND%20SRC:MED&resulttype=core&format=json

9 April 2020

1 reference

1

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9 April 2020

author name string

Ryan C Reynolds

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29111708%20AND%20SRC:MED&resulttype=core&format=json

9 April 2020

publication date

16 November 2017

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29111708%20AND%20SRC:MED&resulttype=core&format=json

Journal of Chemical Information and Modeling

9 April 2020

published in

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29111708%20AND%20SRC:MED&resulttype=core&format=json

9 April 2020

volume

57

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29111708%20AND%20SRC:MED&resulttype=core&format=json

9 April 2020

issue

12

1 reference

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9 April 2020

page(s)

3086-3093

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29111708%20AND%20SRC:MED&resulttype=core&format=json

Thermodynamics of ligand binding and efficiency

9 April 2020

cites work

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Improving Drug Design: An Update on Recent Applications of Efficiency Metrics, Strategies for Replacing Problematic Elements, and Compounds in Nontraditional Drug Space

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1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Fragment-based drug design: how big is too big?

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1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172

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1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Identification of inhibitors of protein kinase B using fragment-based lead discovery

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1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Additivity rules for the estimation of thermochemical properties

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Fragment-based lead discovery and design

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1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Ligand binding efficiency: trends, physical basis, and implications

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1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Additivity principles in biochemistry

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1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A β-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.

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1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Enthalpic efficiency of ligand binding

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1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Ligand efficiency: a useful metric for lead selection

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Adding calorimetric data to decision making in lead discovery: a hot tip

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1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Functional group contributions to drug-receptor interactions.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Linear interaction energy models for beta-secretase (BACE) inhibitors: Role of van der Waals, electrostatic, and continuum-solvation terms

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

A thermodynamic approach to the affinity optimization of drug candidates

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Structural details on the binding of antihypertensive drugs captopril and enalaprilat to human testicular angiotensin I-converting enzyme.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Thiol-based angiotensin-converting enzyme 2 inhibitors: P1 modifications for the exploration of the S1 subsite

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

The role of ligand efficiency metrics in drug discovery.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

On the attribution and additivity of binding energies

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

The maximal affinity of ligands

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

The role of molecular size in ligand efficiency

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Validity of ligand efficiency metrics.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.7B00381

Identifiers

DOI

10.1021/ACS.JCIM.7B00381

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:29111708%20AND%20SRC:MED&resulttype=core&format=json

9 April 2020

1 reference