(Q33455932)

26 July 2017

title

Structural models in the assessment of protein druggability based on HTS data (English)

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26 July 2017

Anvita Gupta

1

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26 July 2017

Arun Kumar Gupta

series ordinal

2

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26 July 2017

Kothandaraman Seshadri

series ordinal

3

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26 July 2017

publication date

29 May 2009

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Journal of Computer - Aided Molecular Design

26 July 2017

published in

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26 July 2017

volume

23

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26 July 2017

issue

8

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26 July 2017

page(s)

583-592

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26 July 2017

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12 December 2020

Origin and evolution of high throughput screening

1 reference

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How many drug targets are there?

1 reference

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Ligand efficiency: a useful metric for lead selection

1 reference

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Computational biology resources lack persistence and usability

1 reference

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Perspectives on NMR in drug discovery: a technique comes of age

1 reference

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PINT: Protein-protein Interactions Thermodynamic Database

1 reference

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Support vector machines approach for predicting druggable proteins: recent progress in its exploration and investigation of its usefulness.

1 reference

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A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance

1 reference

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The Amber biomolecular simulation programs

1 reference

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On the nature of cavities on protein surfaces: application to the identification of drug-binding sites

1 reference

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How many genomics targets can a portfolio afford?

1 reference

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Integration of virtual and high-throughput screening

1 reference

12 December 2020

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

1 reference

12 December 2020

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

1 reference

12 December 2020

1 reference

12 December 2020

Protein Ligand Database (PLD): additional understanding of the nature and specificity of protein–ligand complexes

1 reference

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The molecular surface package

1 reference

12 December 2020

Knockouts model the 100 best-selling drugs--will they model the next 100?

1 reference

12 December 2020

Structure-based maximal affinity model predicts small-molecule druggability.

1 reference

12 December 2020

Druggability indices for protein targets derived from NMR-based screening data

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12 December 2020

Ligand efficiency indices as guideposts for drug discovery.

1 reference

12 December 2020

Streamlining lead discovery by aligning in silico and high-throughput screening

1 reference

12 December 2020

The maximal affinity of ligands

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12 December 2020

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

1 reference

12 December 2020

Prediction of binding constants of protein ligands: a fast method for the prioritization of hits obtained from de novo design or 3D database search programs

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12 December 2020

10.1007/S10822-009-9279-Y

Identifiers

DOI

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26 July 2017

DBLP publication ID

journals/jcamd/GuptaGS09

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DBLP Dataset 2021-01-02

28 January 2021

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