Blundell TL - Search Results

1

Does a more precise chemical description of protein-ligand complexes lead to more accurate prediction of binding affinity?

Ballester PJ, Schreyer A, Blundell TL. Ballester PJ, et al. Among authors: blundell tl. J Chem Inf Model. 2014 Mar 24;54(3):944-55. doi: 10.1021/ci500091r. Epub 2014 Feb 20. J Chem Inf Model. 2014. PMID: 24528282 Free PMC article.

2

What can we learn from the evolution of protein-ligand interactions to aid the design of new therapeutics?

Higueruelo AP, Schreyer A, Bickerton GR, Blundell TL, Pitt WR. Higueruelo AP, et al. Among authors: blundell tl. PLoS One. 2012;7(12):e51742. doi: 10.1371/journal.pone.0051742. Epub 2012 Dec 11. PLoS One. 2012. PMID: 23240060 Free PMC article.

3

CREDO: a protein-ligand interaction database for drug discovery.

Schreyer A, Blundell T. Schreyer A, et al. Chem Biol Drug Des. 2009 Feb;73(2):157-67. doi: 10.1111/j.1747-0285.2008.00762.x. Chem Biol Drug Des. 2009. PMID: 19207418

4

CREDO: a structural interactomics database for drug discovery.

Schreyer AM, Blundell TL. Schreyer AM, et al. Among authors: blundell tl. Database (Oxford). 2013 Jul 18;2013:bat049. doi: 10.1093/database/bat049. Print 2013. Database (Oxford). 2013. PMID: 23868908 Free PMC article.

5

A structural bioinformatics approach to the analysis of nonsynonymous single nucleotide polymorphisms (nsSNPs) and their relation to disease.

Worth CL, Bickerton GR, Schreyer A, Forman JR, Cheng TM, Lee S, Gong S, Burke DF, Blundell TL. Worth CL, et al. Among authors: blundell tl. J Bioinform Comput Biol. 2007 Dec;5(6):1297-318. doi: 10.1142/s0219720007003120. J Bioinform Comput Biol. 2007. PMID: 18172930

6

USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints.

Schreyer AM, Blundell T. Schreyer AM, et al. J Cheminform. 2012 Nov 6;4(1):27. doi: 10.1186/1758-2946-4-27. J Cheminform. 2012. PMID: 23131020 Free PMC article.

7

On the origins of enzyme inhibitor selectivity and promiscuity: a case study of protein kinase binding to staurosporine.

Tanramluk D, Schreyer A, Pitt WR, Blundell TL. Tanramluk D, et al. Among authors: blundell tl. Chem Biol Drug Des. 2009 Jul;74(1):16-24. doi: 10.1111/j.1747-0285.2009.00832.x. Chem Biol Drug Des. 2009. PMID: 19519740 Free PMC article.

8

Atomic interactions and profile of small molecules disrupting protein-protein interfaces: the TIMBAL database.

Higueruelo AP, Schreyer A, Bickerton GR, Pitt WR, Groom CR, Blundell TL. Higueruelo AP, et al. Among authors: blundell tl. Chem Biol Drug Des. 2009 Nov;74(5):457-67. doi: 10.1111/j.1747-0285.2009.00889.x. Chem Biol Drug Des. 2009. PMID: 19811506

9

Structural interactomics: informatics approaches to aid the interpretation of genetic variation and the development of novel therapeutics.

Lee S, Brown A, Pitt WR, Higueruelo AP, Gong S, Bickerton GR, Schreyer A, Tanramluk D, Baylay A, Blundell TL. Lee S, et al. Among authors: blundell tl. Mol Biosyst. 2009 Dec;5(12):1456-72. doi: 10.1039/B906402h. Epub 2009 Aug 6. Mol Biosyst. 2009. PMID: 19763326 Review.

10

Hotspots API: A Python Package for the Detection of Small Molecule Binding Hotspots and Application to Structure-Based Drug Design.

Curran PR, Radoux CJ, Smilova MD, Sykes RA, Higueruelo AP, Bradley AR, Marsden BD, Spring DR, Blundell TL, Leach AR, Pitt WR, Cole JC. Curran PR, et al. Among authors: blundell tl. J Chem Inf Model. 2020 Apr 27;60(4):1911-1916. doi: 10.1021/acs.jcim.9b00996. Epub 2020 Apr 2. J Chem Inf Model. 2020. PMID: 32207937

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