(Q39510601)

12 September 2017

Thermodynamics of ligand binding and efficiency (English)

1 reference

12 September 2017

1 reference

0 references

Charles H Reynolds

1

1 reference

PMCID

4018058

12 September 2017

M Katharine Holloway

series ordinal

2

1 reference

12 September 2017

23 March 2011

1 reference

ACS Medicinal Chemistry Letters

12 September 2017

1 reference

12 September 2017

2

1 reference

12 September 2017

6

1 reference

12 September 2017

433-437

1 reference

Thermodynamic and structural effects of conformational constraints in protein-ligand interactions. Entropic paradoxy associated with ligand preorganization

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

A thermodynamic approach to the affinity optimization of drug candidates

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

Theory of free energy and entropy in noncovalent binding

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

Do enthalpy and entropy distinguish first in class from best in class?

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

Validation of an automated procedure for the prediction of relative free energies of binding on a set of aldose reductase inhibitors

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

Compensating enthalpic and entropic changes hinder binding affinity optimization

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

Calculation of protein-ligand binding affinities.

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

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

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

Calculation of cyclodextrin binding affinities: energy, entropy, and implications for drug design

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

Molecular complexity and its impact on the probability of finding leads for drug discovery

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

The maximal affinity of ligands

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

Functional group contributions to drug-receptor interactions.

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

Ligand efficiency indices for effective drug discovery

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

Win some, lose some: enthalpy-entropy compensation in weak intermolecular interactions

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

Simple size-independent measure of ligand efficiency

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

The role of molecular size in ligand efficiency

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

Ligand efficiency indices as guideposts for drug discovery.

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

ITC in the post-genomic era...? Priceless

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site.

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

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

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018058

Enthalpic efficiency of ligand binding

1 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24900326

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Ligand binding efficiency: trends, physical basis, and implications

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24900326

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/ML200010K

1 reference

12 September 2017

1 reference

12 September 2017

1 reference

PMCID

4018058