(Q33238328)

24 July 2017

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title

Structure-based development of target-specific compound libraries (English)

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24 July 2017

Claudio N Cavasotto

3

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author name string

Andrew J W Orry

series ordinal

1

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24 July 2017

Ruben A Abagyan

series ordinal

2

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24 July 2017

publication date

1 March 2006

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24 July 2017

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24 July 2017

volume

11

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24 July 2017

issue

5-6

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24 July 2017

page(s)

261-266

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Drug discovery on the assembly line

24 July 2017

cites work

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Diversity screening versus focussed screening in drug discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Comments on the design of chemical libraries for screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

The in silico world of virtual libraries

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Comprehensive survey of combinatorial library synthesis: 2003.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Combinatorial target-guided ligand assembly: identification of potent subtype-selective c-Src inhibitors

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Protein structure similarity as guiding principle for combinatorial library design.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

1 reference

7 January 2021

Structural biology and drug discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Structure-based drug design

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Recent developments in structure-based drug design

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Using NMR for ligand discovery and optimization

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

High-throughput X-ray crystallography for drug discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

The Protein Data Bank

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Protein flexibility is an important component of structure-based drug discovery.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

The Challenge of Considering Receptor Flexibility in Ligand Docking and Virtual Screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Virtual screening of chemical libraries

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Comparing protein-ligand docking programs is difficult.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

A novel class of inhibitors of peptide deformylase discovered through high-throughput screening and virtual ligand screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

In silico identification of novel EGFR inhibitors with antiproliferative activity against cancer cells

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Identification of non-phosphate-containing small molecular weight inhibitors of the tyrosine kinase p56 Lck SH2 domain via in silico screening against the pY + 3 binding site.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Ligand-supported homology modeling of g-protein-coupled receptor sites: models sufficient for successful virtual screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Computer-based de novo design of drug-like molecules

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

The process of structure-based drug design

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Mapping the kinase domain of Janus Kinase 3.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Privileged structures: applications in drug discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Virtual screening for inhibitors of human aldose reductase.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Identification of compounds with nanomolar binding affinity for checkpoint kinase-1 using knowledge-based virtual screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Structure-based design, parallel synthesis, structure-activity relationship, and molecular modeling studies of thiocarbamates, new potent non-nucleoside HIV-1 reverse transcriptase inhibitor isosteres of phenethylthiazolylthiourea derivatives.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

High-throughput protein crystallography and drug discovery.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

High-throughput crystallography to enhance drug discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Fragment-Based Drug Discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Quinic acid derivatives as sialyl Lewis(x)-mimicking selectin inhibitors: design, synthesis, and crystal structure in complex with E-selectin

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Synthesis and crystal structures of substituted benzenes and benzoquinones as tissue factor VIIa inhibitors

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Design, parallel synthesis, and crystal structures of pyrazinone antithrombotics as selective inhibitors of the tissue factor VIIa complex

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Structure-based drug design of pyrazinone antithrombotics as selective inhibitors of the tissue factor VIIa complex.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Detection of ligands from a dynamic combinatorial library by X-ray crystallography.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

The discovery of novel protein kinase inhibitors by using fragment-based high-throughput x-ray crystallography

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Fragment-based lead discovery using X-ray crystallography.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Rational design of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors: predicting enzyme conformational change and metabolism

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

NMR spectroscopy tools for structure-aided drug design

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

NMR spectroscopy techniques for screening and identifying ligand binding to protein receptors

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

NMR-based methods and strategies for drug discovery.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

NMR-Based Discovery of Lead Inhibitors That Block DNA Binding of the Human Papillomavirus E2 Protein

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

High-throughput nuclear magnetic resonance-based screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Site-selective screening by NMR spectroscopy with labeled amino acid pairs

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Site-selective labeling strategies for screening by NMR.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Selective incorporation of 19F-labeled Trp side chains for NMR-spectroscopy-based ligand-protein interaction studies.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Use of selective Trp side chain labeling to characterize protein-protein and protein-ligand interactions by NMR spectroscopy

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

RAMPED-UP NMR: multiplexed NMR-based screening for drug discovery.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

NMR-based modification of matrix metalloproteinase inhibitors with improved bioavailability

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Second-site NMR screening and linker design

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

An inhibitor of Bcl-2 family proteins induces regression of solid tumours

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Potent, selective inhibitors of protein tyrosine phosphatase 1B

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Exploring the active site of human factor Xa protein by NMR screening of small molecule probes

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Determination of protein-ligand binding affinity by NMR: observations from serum albumin model systems

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Novel dihydrofolate reductase inhibitors. Structure-based versus diversity-based library design and high-throughput synthesis and screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Protein flexibility and drug design: how to hit a moving target.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Representing receptor flexibility in ligand docking through relevant normal modes.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Conformational Sampling of Protein Flexibility in Generalized Coordinates: Application to Ligand Docking

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Incorporating protein flexibility in structure-based drug discovery: using HIV-1 protease as a test case

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

FlexE: efficient molecular docking considering protein structure variations.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Soft docking and multiple receptor conformations in virtual screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Testing a flexible-receptor docking algorithm in a model binding site

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

Protein flexibility in ligand docking and virtual screening to protein kinases.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2805%2903717-7

7 January 2021

10.1016/S1359-6446(05)03717-7

Identifiers

DOI

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24 July 2017

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