Pires DEV - Search Results

1

cardioToxCSM: A Web Server for Predicting Cardiotoxicity of Small Molecules.

Iftkhar S, de Sá AGC, Velloso JPL, Aljarf R, Pires DEV, Ascher DB. Iftkhar S, et al. Among authors: pires dev. J Chem Inf Model. 2022 Oct 24;62(20):4827-4836. doi: 10.1021/acs.jcim.2c00822. Epub 2022 Oct 11. J Chem Inf Model. 2022. PMID: 36219164

2

mCSM: predicting the effects of mutations in proteins using graph-based signatures.

Pires DE, Ascher DB, Blundell TL. Pires DE, et al. Bioinformatics. 2014 Feb 1;30(3):335-42. doi: 10.1093/bioinformatics/btt691. Epub 2013 Nov 26. Bioinformatics. 2014. PMID: 24281696 Free PMC article.

3

DUET: a server for predicting effects of mutations on protein stability using an integrated computational approach.

Pires DE, Ascher DB, Blundell TL. Pires DE, et al. Nucleic Acids Res. 2014 Jul;42(Web Server issue):W314-9. doi: 10.1093/nar/gku411. Epub 2014 May 14. Nucleic Acids Res. 2014. PMID: 24829462 Free PMC article.

4

Platinum: a database of experimentally measured effects of mutations on structurally defined protein-ligand complexes.

Pires DE, Blundell TL, Ascher DB. Pires DE, et al. Nucleic Acids Res. 2015 Jan;43(Database issue):D387-91. doi: 10.1093/nar/gku966. Epub 2014 Oct 16. Nucleic Acids Res. 2015. PMID: 25324307 Free PMC article.

5

Analysis of HGD Gene Mutations in Patients with Alkaptonuria from the United Kingdom: Identification of Novel Mutations.

Usher JL, Ascher DB, Pires DE, Milan AM, Blundell TL, Ranganath LR. Usher JL, et al. JIMD Rep. 2015;24:3-11. doi: 10.1007/8904_2014_380. Epub 2015 Feb 15. JIMD Rep. 2015. PMID: 25681086 Free PMC article.

6

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures.

Pires DE, Blundell TL, Ascher DB. Pires DE, et al. J Med Chem. 2015 May 14;58(9):4066-72. doi: 10.1021/acs.jmedchem.5b00104. Epub 2015 Apr 22. J Med Chem. 2015. PMID: 25860834 Free PMC article.

7

Germline Mutations in the CDKN2B Tumor Suppressor Gene Predispose to Renal Cell Carcinoma.

Jafri M, Wake NC, Ascher DB, Pires DE, Gentle D, Morris MR, Rattenberry E, Simpson MA, Trembath RC, Weber A, Woodward ER, Donaldson A, Blundell TL, Latif F, Maher ER. Jafri M, et al. Cancer Discov. 2015 Jul;5(7):723-9. doi: 10.1158/2159-8290.CD-14-1096. Epub 2015 Apr 14. Cancer Discov. 2015. PMID: 25873077

8

In silico functional dissection of saturation mutagenesis: Interpreting the relationship between phenotypes and changes in protein stability, interactions and activity.

Pires DE, Chen J, Blundell TL, Ascher DB. Pires DE, et al. Sci Rep. 2016 Jan 22;6:19848. doi: 10.1038/srep19848. Sci Rep. 2016. PMID: 26797105 Free PMC article.

9

Mycobacterium tuberculosis whole genome sequencing and protein structure modelling provides insights into anti-tuberculosis drug resistance.

Phelan J, Coll F, McNerney R, Ascher DB, Pires DE, Furnham N, Coeck N, Hill-Cawthorne GA, Nair MB, Mallard K, Ramsay A, Campino S, Hibberd ML, Pain A, Rigouts L, Clark TG. Phelan J, et al. BMC Med. 2016 Mar 23;14:31. doi: 10.1186/s12916-016-0575-9. BMC Med. 2016. PMID: 27005572 Free PMC article.

10

CSM-lig: a web server for assessing and comparing protein-small molecule affinities.

Pires DE, Ascher DB. Pires DE, et al. Nucleic Acids Res. 2016 Jul 8;44(W1):W557-61. doi: 10.1093/nar/gkw390. Epub 2016 May 5. Nucleic Acids Res. 2016. PMID: 27151202 Free PMC article.

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