(Q27650049)

13

Brian K Shoichet

0 references

Ajit Jadhav

Ajit Jadhav

10

0 references

Anton Simeonov

2

Anton Simeonov

0 references

Christopher P Austin

12

Christopher P Austin

0 references

Craig J. Thomas

Craig J Thomas

6

1 reference

ORCID Public Data File 2021

author name string

Kerim Babaoglu

1

0 references

Michael E Nelson

4

0 references

Brian Feng

5

0 references

Laura Cancian

7

0 references

M Paola Costi

8

0 references

David A Maltby

9

0 references

James Inglese

Journal of Medicinal Chemistry

11

0 references

language of work or name

English

0 references

publication date

24 April 2008

0 references

published in

0 references

volume

51

0 references

page(s)

2502-11

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issue

8

0 references

cites work

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1 reference

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ZINC--a free database of commercially available compounds for virtual screening

20 March 2017

1 reference

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From The Cover: Automated protein crystal structure determination using ELVES

20 March 2017

1 reference

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Nanomolar inhibitors of AmpC beta-lactamase

20 March 2017

1 reference

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Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta-lactamase

20 March 2017

1 reference

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Likelihood-enhanced fast translation functions

20 March 2017

1 reference

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Coot: model-building tools for molecular graphics

20 March 2017

1 reference

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Refinement of macromolecular structures by the maximum-likelihood method

20 March 2017

1 reference

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Navigating chemical space for biology and medicine

20 March 2017

1 reference

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Drugs for bad bugs: confronting the challenges of antibacterial discovery

20 March 2017

1 reference

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Benchmarking sets for molecular docking

7 April 2017

1 reference

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High-throughput screening assays for the identification of chemical probes

7 April 2017

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Lead-like, drug-like or "Pub-like": how different are they?

29 September 2017

1 reference

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Quantitative high-throughput screening: a titration-based approach that efficiently identifies biological activities in large chemical libraries

29 September 2017

1 reference

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The deacylation mechanism of AmpC beta-lactamase at ultrahigh resolution

29 September 2017

1 reference

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High-throughput assays for promiscuous inhibitors.

29 September 2017

1 reference

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Evaluating real-life high-throughput screening data

29 September 2017

1 reference

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Virtual screening of chemical libraries

29 September 2017

1 reference

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Exploring biology with small organic molecules

29 September 2017

1 reference

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Structure-guided fragment screening for lead discovery

29 September 2017

1 reference

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Fragment-based lead discovery

29 September 2017

1 reference

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Tethering: fragment-based drug discovery

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2655312

A specific mechanism of nonspecific inhibition

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2655312

Designing screens: how to make your hits a hit.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2655312

Nonleadlikeness and leadlikeness in biochemical screening

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2655312

Current trends in lead discovery: are we looking for the appropriate properties?

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2655312

A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2655312

Development of a virtual screening method for identification of "frequent hitters" in compound libraries

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2655312

Molecular complexity and its impact on the probability of finding leads for drug discovery

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2655312

Detailed analysis of scoring functions for virtual screening

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2655312

Recognizing molecules with drug-like properties

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2655312

High-throughput screening of historic collections: observations on file size, biological targets, and file diversity

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2655312

A computer screening approach to immunoglobulin superfamily structures and interactions: discovery of small non-peptidic CD4 inhibitors as novel immunotherapeutics

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2655312

Structure-based optimization of a non-beta-lactam lead results in inhibitors that do not up-regulate beta-lactamase expression in cell culture

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2655312

Subcloning, characterization, and affinity labeling of Escherichia coli glycinamide ribonucleotide transformylase.

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2655312

A high-throughput screen for aggregation-based inhibition in a large compound library.

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2655312

Diverse, high-quality test set for the validation of protein-ligand docking performance.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2655312

Fragment-Based Drug Discovery

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2655312

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

27 November 2018

1 reference

12 December 2020

Utilization of NMR-derived fragment leads in drug design

1 reference

12 December 2020

Critical review of the role of HTS in drug discovery

1 reference

12 December 2020

Deconstructing fragment-based inhibitor discovery

1 reference

12 December 2020

Processing of X-ray diffraction data collected in oscillation mode

1 reference

12 December 2020

Screening a peptidyl database for potential ligands to proteins with side-chain flexibility

1 reference

12 December 2020

Identifiers

DOI

10.1021/JM701500E

1 reference

4134191

4134191

1 reference

1 reference

1 reference