(Q39038790)

8 September 2017

title

The importance of employing computational resources for the automation of drug discovery (English)

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8 September 2017

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Martha Cecilia Rosales-Hernández

series ordinal

1

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8 September 2017

José Correa-Basurto

series ordinal

2

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8 September 2017

language of work or name

English

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publication date

15 February 2015

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Expert Opinion on Drug Discovery

8 September 2017

published in

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8 September 2017

volume

10

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8 September 2017

issue

3

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8 September 2017

page(s)

213-219

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The perspectives of computational chemistry modeling

8 September 2017

cites work

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https://api.crossref.org/works/10.1517%2F17460441.2015.1005071

Chemical predictive modelling to improve compound quality

21 January 2018

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https://api.crossref.org/works/10.1517%2F17460441.2015.1005071

Elucidation of the mechanism of inhibition of cyclooxygenases by acyl-coenzyme A and acylglucuronic conjugates of ketoprofen.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2015.1005071

Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2015.1005071

Exploration of the valproic acid binding site on histone deacetylase 8 using docking and molecular dynamic simulations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2015.1005071

Accounting for receptor flexibility and enhanced sampling methods in computer-aided drug design

21 January 2018

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https://api.crossref.org/works/10.1517%2F17460441.2015.1005071

In silico ADMET prediction: recent advances, current challenges and future trends

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2015.1005071

Moving beyond rules: the development of a central nervous system multiparameter optimization (CNS MPO) approach to enable alignment of druglike properties

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2015.1005071

Setting expectations in molecular optimizations: Strengths and limitations of commonly used composite parameters

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2015.1005071

Evolution of the physicochemical properties of marketed drugs: can history foretell the future?

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2015.1005071

Protein-ligand docking: current status and future challenges

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2015.1005071

QSAR, docking, dynamic simulation and quantum mechanics studies to explore the recognition properties of cholinesterase binding sites

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2015.1005071

10.1517/17460441.2015.1005071

21 January 2018

Identifiers

DOI

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8 September 2017

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