(Q56452754)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19960014%20AND%20SRC:MED&resulttype=core&format=json

13 February 2020

review article

1 reference

title

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

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19960014%20AND%20SRC:MED&resulttype=core&format=json

13 February 2020

1 reference

1

1 reference

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13 February 2020

author name string

Gerhard Klebe

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19960014%20AND%20SRC:MED&resulttype=core&format=json

13 February 2020

Ernesto Freire

series ordinal

3

1 reference

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13 February 2020

publication date

4 December 2009

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19960014%20AND%20SRC:MED&resulttype=core&format=json

Nature Reviews Drug Discovery

13 February 2020

published in

1 reference

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13 February 2020

volume

9

1 reference

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13 February 2020

issue

1

1 reference

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13 February 2020

page(s)

23-27

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https://scigraph.springernature.com/pub.10.1038/nrd3054

13 February 2020

exact match

0 references

cites work

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

1 reference

Counting the calories to stay in the groove.

21 January 2018

1 reference

Sensing the heat: the application of isothermal titration calorimetry to thermodynamic studies of biomolecular interactions

31 March 2020

1 reference

Isothermal titration calorimetry: application to structure-based drug design

31 March 2020

1 reference

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

31 March 2020

1 reference

Adaptive inhibitors of the HIV-1 protease

31 March 2020

1 reference

Coupling of local folding to site-specific binding of proteins to DNA

31 March 2020

1 reference

Protein Structure and the Energetics of Protein Stability.

31 March 2020

1 reference

Structural parameterization of the binding enthalpy of small ligands

31 March 2020

1 reference

The enthalpy change in protein folding and binding: refinement of parameters for structure-based calculations.

31 March 2020

1 reference

The Thermodynamics of Protein–Ligand Interaction and Solvation: Insights for Ligand Design

31 March 2020

1 reference

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

31 March 2020

1 reference

Application and limitations of X-ray crystallographic data in structure-based ligand and drug design

31 March 2020

1 reference

Compensating enthalpic and entropic changes hinder binding affinity optimization

31 March 2020

1 reference

Overcoming roadblocks in lead optimization: a thermodynamic perspective

31 March 2020

1 reference

Ligand efficiency: a useful metric for lead selection

31 March 2020

1 reference

Fragment-based lead discovery

31 March 2020

1 reference

Ligand efficiency indices as guideposts for drug discovery.

31 March 2020

1 reference

Drug-like properties and the causes of poor solubility and poor permeability

31 March 2020

1 reference

Discovering high-affinity ligands for proteins: SAR by NMR

31 March 2020

1 reference

Fragment-based lead discovery using X-ray crystallography.

31 March 2020

1 reference

Identification of novel fragment compounds targeted against the pY pocket of v-Src SH2 by computational and NMR screening and thermodynamic evaluation

31 March 2020

1 reference

Just add water! The effect of water on the specificity of protein-ligand binding sites and its potential application to drug design

31 March 2020

1 reference

Structural and thermodynamic study on aldose reductase: nitro-substituted inhibitors with strong enthalpic binding contribution

31 March 2020

1 reference

Evaluation of linked protonation effects in protein binding reactions using isothermal titration calorimetry

31 March 2020

1 reference

Protonation changes upon ligand binding to trypsin and thrombin: structural interpretation based on pK(a) calculations and ITC experiments

31 March 2020

1 reference

Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition

31 March 2020

1 reference

Thermodynamic inhibition profile of a cyclopentyl and a cyclohexyl derivative towards thrombin: the same but for different reasons

31 March 2020

1 reference

31 March 2020

Identifiers

DOI

10.1038/NRD3054

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19960014%20AND%20SRC:MED&resulttype=core&format=json

13 February 2020

1 reference