Martí MA - Search Results

1

A Carboxy-Terminal Monoleucine-Based Motif Participates in the Basolateral Targeting of the Na+/I- Symporter.

Martín M, Modenutti CP, Peyret V, Geysels RC, Darrouzet E, Pourcher T, Masini-Repiso AM, Martí MA, Carrasco N, Nicola JP. Martín M, et al. Among authors: marti ma. Endocrinology. 2019 Jan 1;160(1):156-168. doi: 10.1210/en.2018-00603. Endocrinology. 2019. PMID: 30496374 Free PMC article.

2

Solvent structure improves docking prediction in lectin-carbohydrate complexes.

Gauto DF, Petruk AA, Modenutti CP, Blanco JI, Di Lella S, Martí MA. Gauto DF, et al. Among authors: marti ma. Glycobiology. 2013 Feb;23(2):241-58. doi: 10.1093/glycob/cws147. Epub 2012 Oct 22. Glycobiology. 2013. PMID: 23089616

3

WATCLUST: a tool for improving the design of drugs based on protein-water interactions.

López ED, Arcon JP, Gauto DF, Petruk AA, Modenutti CP, Dumas VG, Marti MA, Turjanski AG. López ED, et al. Among authors: marti ma. Bioinformatics. 2015 Nov 15;31(22):3697-9. doi: 10.1093/bioinformatics/btv411. Epub 2015 Jul 20. Bioinformatics. 2015. PMID: 26198103

4

Efficient Calculation of Enzyme Reaction Free Energy Profiles Using a Hybrid Differential Relaxation Algorithm: Application to Mycobacterial Zinc Hydrolases.

Romero JM, Martin M, Ramirez CL, Dumas VG, Marti MA. Romero JM, et al. Among authors: marti ma. Adv Protein Chem Struct Biol. 2015;100:33-65. doi: 10.1016/bs.apcsb.2015.06.006. Epub 2015 Jul 15. Adv Protein Chem Struct Biol. 2015. PMID: 26415840 Review.

5

Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions.

Arcon JP, Defelipe LA, Modenutti CP, López ED, Alvarez-Garcia D, Barril X, Turjanski AG, Martí MA. Arcon JP, et al. Among authors: marti ma. J Chem Inf Model. 2017 Apr 24;57(4):846-863. doi: 10.1021/acs.jcim.6b00678. Epub 2017 Mar 31. J Chem Inf Model. 2017. PMID: 28318252

6

LigQ: A Webserver to Select and Prepare Ligands for Virtual Screening.

Radusky L, Ruiz-Carmona S, Modenutti C, Barril X, Turjanski AG, Martí MA. Radusky L, et al. Among authors: marti ma. J Chem Inf Model. 2017 Aug 28;57(8):1741-1746. doi: 10.1021/acs.jcim.7b00241. Epub 2017 Jul 27. J Chem Inf Model. 2017. PMID: 28700230

7

An efficient use of X-ray information, homology modeling, molecular dynamics and knowledge-based docking techniques to predict protein-monosaccharide complexes.

Blanco Capurro JI, Di Paola M, Gamarra MD, Martí MA, Modenutti CP. Blanco Capurro JI, et al. Among authors: marti ma. Glycobiology. 2019 Feb 1;29(2):124-136. doi: 10.1093/glycob/cwy102. Glycobiology. 2019. PMID: 30407518

8

Solvents to Fragments to Drugs: MD Applications in Drug Design.

Defelipe LA, Arcon JP, Modenutti CP, Marti MA, Turjanski AG, Barril X. Defelipe LA, et al. Among authors: marti ma. Molecules. 2018 Dec 11;23(12):3269. doi: 10.3390/molecules23123269. Molecules. 2018. PMID: 30544890 Free PMC article. Review.

9

VarQ: A Tool for the Structural and Functional Analysis of Human Protein Variants.

Radusky L, Modenutti C, Delgado J, Bustamante JP, Vishnopolska S, Kiel C, Serrano L, Marti M, Turjanski A. Radusky L, et al. Front Genet. 2018 Dec 6;9:620. doi: 10.3389/fgene.2018.00620. eCollection 2018. Front Genet. 2018. PMID: 30574164 Free PMC article.

10

AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions.

Arcon JP, Modenutti CP, Avendaño D, Lopez ED, Defelipe LA, Ambrosio FA, Turjanski AG, Forli S, Marti MA. Arcon JP, et al. Among authors: marti ma. Bioinformatics. 2019 Oct 1;35(19):3836-3838. doi: 10.1093/bioinformatics/btz152. Bioinformatics. 2019. PMID: 30825370 Free PMC article.

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