Docking for fragment inhibitors of AmpC &#160;-lactamase (Q27655382)

20 October 2023

Brian K

Shoichet

Brian K Shoichet

1 reference

20 October 2023

Denise G Teotico

Denise G

Teotico

1 reference

20 October 2023

Kerim Babaoglu

series ordinal

author given names

Kerim

author last names

Babaoglu

1 reference

20 October 2023

Rafaela S Ferreira

series ordinal

author given names

Rafaela S

author last names

Ferreira

1 reference

20 October 2023

Anthony M Giannetti

series ordinal

author given names

Anthony M

author last names

Giannetti

1 reference

Proceedings of the National Academy of Sciences of the United States of America

20 October 2023

language of work or name

English

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publication date

5 May 2009

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published in

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volume

106

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issue

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page(s)

7455-60

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cites work

Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design

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Comprehensive Mechanistic Analysis of Hits from High-Throughput and Docking Screens against β-Lactamase

20 March 2017

1 reference

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

20 March 2017

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Virtual screening for submicromolar leads of tRNA-guanine transglycosylase based on a new unexpected binding mode detected by crystal structure analysis

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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Structure-based approach for binding site identification on AmpC beta-lactamase

20 March 2017

1 reference

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

20 March 2017

1 reference

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Fragment-based lead discovery: leads by design

20 March 2017

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20 March 2017

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Scaffold topologies. 2. Analysis of chemical databases

20 March 2017

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The SeeDs approach: integrating fragments into drug discovery

29 September 2017

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Informatics and modeling challenges in fragment-based drug discovery.

29 September 2017

1 reference

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Identification of nonpeptide CCR5 receptor agonists by structure-based virtual screening

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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Discovery of cell-permeable non-peptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations

29 September 2017

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Structure-guided fragment screening for lead discovery

29 September 2017

1 reference

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The different strategies for designing GPCR and kinase targeted libraries

29 September 2017

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Diversity and coverage of structural sublibraries selected using the SAGE and SCA algorithms

29 September 2017

1 reference

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Is there a difference between leads and drugs? A historical perspective

29 September 2017

1 reference

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

29 September 2017

1 reference

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Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671983

Analysis of the binding surfaces of proteins

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671983

Locating and characterizing binding sites on proteins

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671983

In search of new lead compounds for trypanosomiasis drug design: a protein structure-based linked-fragment approach.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671983

Automated docking of ligands to an artificial active site: augmenting crystallographic analysis with computer modeling

29 September 2017

1 reference

Crossref

https://api.crossref.org/works/10.1073%2FPNAS.0813029106

Identification of a lead small-molecule inhibitor of the Aurora kinases using a structure-assisted, fragment-based approach

21 January 2018

1 reference

https://pubmed.ncbi.nlm.nih.gov/19416920

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Deconstructing fragment-based inhibitor discovery

1 reference

https://pubmed.ncbi.nlm.nih.gov/19416920

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1073/PNAS.0813029106

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