(Q52025325)

20 April 2018

title

A validation study on the practical use of automated de novo design. (English)

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20 April 2018

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Martin Stahl

1

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20 April 2018

Nikolay P Todorov

2

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20 April 2018

Tim James

3

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20 April 2018

Harald Mauser

4

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Hans-Joachim Boehm

5

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Philip M Dean

6

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20 April 2018

publication date

1 July 2002

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20 April 2018

Journal of Computer - Aided Molecular Design

published in

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20 April 2018

volume

16

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20 April 2018

page(s)

459-478

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issue

7

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https://scigraph.springernature.com/pub.10.1023/a:1021242018286

exact match

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cites work

Synthesis and pharmacology of conformationally restricted raloxifene analogues: highly potent selective estrogen receptor modulators

1 reference

12 December 2020

Scoring functions: a view from the bench

1 reference

12 December 2020

Combinatorial computational method gives new picomolar ligands for a known enzyme

1 reference

12 December 2020

Structure-based virtual screening protocols.

1 reference

12 December 2020

Pyrazole ligands: structure-affinity/activity relationships and estrogen receptor-alpha-selective agonists.

1 reference

12 December 2020

Evaluation of a method for controlling molecular scaffold diversity in de novo ligand design

1 reference

12 December 2020

Pyrido[2,3-d]pyrimidin-7-one inhibitors of cyclin-dependent kinases

1 reference

12 December 2020

Structural approaches to explain the selectivity of COX-2 inhibitors: is there a common pharmacophore?

1 reference

12 December 2020

Paullones, a series of cyclin-dependent kinase inhibitors: synthesis, evaluation of CDK1/cyclin B inhibition, and in vitro antitumor activity

1 reference

12 December 2020

Rational discovery of novel nuclear hormone receptor antagonists

1 reference

12 December 2020

Receptor-based 3D QSAR analysis of estrogen receptor ligands--merging the accuracy of receptor-based alignments with the computational efficiency of ligand-based methods

1 reference

12 December 2020

Combinatorial docking and combinatorial chemistry: design of potent non-peptide thrombin inhibitors

1 reference

12 December 2020

High-throughput chemistry and structure-based design: survival of the smartest

1 reference

12 December 2020

BCX-1812 (RWJ-270201): discovery of a novel, highly potent, orally active, and selective influenza neuraminidase inhibitor through structure-based drug design

1 reference

12 December 2020

Docking-Based Development of Purine-like Inhibitors of Cyclin-Dependent Kinase-2

1 reference

12 December 2020

Synthesis and biological evaluation of 1,3,4-triaryl-3-pyrrolin-2-ones, a new class of selective cyclooxygenase-2 inhibitors

1 reference

12 December 2020

Selective cyclooxygenase-2 inhibitors: heteroaryl modified 1,2-diarylimidazoles are potent, orally active antiinflammatory agents

1 reference

12 December 2020

Synthesis and evaluation of hexahydrochrysene and tetrahydrobenzofluorene ligands for the estrogen receptor

1 reference

12 December 2020

The discovery of steroids and other novel FKBP inhibitors using a molecular docking program

1 reference

12 December 2020

Cyclin-dependent kinase inhibitors: useful targets in cell cycle regulation

1 reference

12 December 2020

Selective inhibitors of cyclooxygenase-2 (COX-2).

1 reference

12 December 2020

Naphthalene derivatives: A new series of selective cyclooxygenase-2 inhibitors

1 reference

12 December 2020

A branch-and-bound method for optimal atom-type assignment in de novo ligand design.

1 reference

12 December 2020

Structure-based design and combinatorial chemistry yield low nanomolar inhibitors of cathepsin D.

1 reference

12 December 2020

Rational design of potent sialidase-based inhibitors of influenza virus replication

1 reference

12 December 2020

Synergy between combinatorial chemistry and de novo design.

1 reference

12 December 2020

Subnanomolar Inhibitors from Computer Screening: A Model Study Using Human Carbonic Anhydrase II

1 reference

12 December 2020

Novel structural templates for estrogen-receptor ligands and prospects for combinatorial synthesis of estrogens

1 reference

12 December 2020

Synthesis and biological evaluation of 3,4-diaryloxazolones: A new class of orally active cyclooxygenase-2 inhibitors

1 reference

12 December 2020

Design, synthesis, and structural analysis of influenza neuraminidase inhibitors containing pyrrolidine cores

1 reference

12 December 2020

Triarylethylene bisphenols with a novel cycle are ligands for the estrogen receptor

1 reference

12 December 2020

Can drugs be designed?

1 reference

12 December 2020

Systematic structure-based design and stereoselective synthesis of novel multisubstituted cyclopentane derivatives with potent antiinfluenza activity

1 reference

12 December 2020

Identifiers

DOI

10.1023/A:1021242018286

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20 April 2018

journals/jcamd/StahlTJMBD02

DBLP publication ID

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DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

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20 April 2018