(Q33236305)

24 July 2017

1 reference

title

Optimizing the use of open-source software applications in drug discovery (English)

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open-source drug discovery

24 July 2017

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Werner J Geldenhuys

1

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24 July 2017

Kevin E Gaasch

2

1 reference

24 July 2017

Mark Watson

3

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24 July 2017

David D Allen

4

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24 July 2017

Cornelis J Van der Schyf

5

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24 July 2017

1 February 2006

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24 July 2017

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24 July 2017

11

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24 July 2017

127-132

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24 July 2017

3-4

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The price of innovation: new estimates of drug development costs

24 July 2017

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

Combinatorial compound libraries for drug discovery: an ongoing challenge

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

Hit and lead generation: beyond high-throughput screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

Predicting drug pharmacokinetic properties using molecular interaction fields and SIMCA.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

Rational approach to AIDS drug design through structural biology

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

Structure-based design of nonpeptide inhibitors specific for the human immunodeficiency virus 1 protease

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

e-Quantum chemistry free resources

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

WWW small molecule modeling

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

e-molecular shapes and properties

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

The case for open-source software in drug discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

Application of Associative Neural Networks for Prediction of Lipophilicity in ALOGPS 2.1 Program

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

Open-source software: not quite endsville

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

The WWW as a Tool to Obtain Molecular Parameters

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

A Web-based chemoinformatics system for drug discovery.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

Web-based cheminformatics tools deployed via corporate Intranets

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

Web services in the life sciences.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

Web-based cheminformatics and molecular property prediction tools supporting drug design and development at Novartis

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 1. Models without explicit constrained water

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

Novel scoring methods in virtual ligand screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

The PDBbind database: methodologies and updates

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

A MATHEMATICAL CONTRIBUTION TO STRUCTURE-ACTIVITY STUDIES.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

Methods for applying the quantitative structure-activity relationship paradigm

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

Chemoinformatics: What is it and How does it Impact Drug Discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

Self-organizing molecular field analysis: a tool for structure-activity studies

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

The molecular modeling toolkit: A new approach to molecular simulations

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

7 January 2021

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903692-5

1 reference

7 January 2021

10.1016/S1359-6446(05)03692-5

Identifiers

DOI

1 reference

24 July 2017

1 reference