Modenutti CP - Search Results

1

The Structural Biology of Galectin-Ligand Recognition: Current Advances in Modeling Tools, Protein Engineering, and Inhibitor Design.

Modenutti CP, Capurro JIB, Di Lella S, Martí MA. Modenutti CP, et al. Front Chem. 2019 Dec 3;7:823. doi: 10.3389/fchem.2019.00823. eCollection 2019. Front Chem. 2019. PMID: 31850312 Free PMC article. Review.

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: modenutti cp. 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: modenutti cp. Bioinformatics. 2015 Nov 15;31(22):3697-9. doi: 10.1093/bioinformatics/btv411. Epub 2015 Jul 20. Bioinformatics. 2015. PMID: 26198103

4

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: modenutti cp. 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

5

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. 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

6

Correction to 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: modenutti cp. J Chem Inf Model. 2018 Jun 25;58(6):1312. doi: 10.1021/acs.jcim.8b00299. Epub 2018 Jun 13. J Chem Inf Model. 2018. PMID: 29897744 No abstract available.

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: modenutti cp. Glycobiology. 2019 Feb 1;29(2):124-136. doi: 10.1093/glycob/cwy102. Glycobiology. 2019. PMID: 30407518

8

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: modenutti cp. Endocrinology. 2019 Jan 1;160(1):156-168. doi: 10.1210/en.2018-00603. Endocrinology. 2019. PMID: 30496374 Free PMC article.

9

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: modenutti cp. Molecules. 2018 Dec 11;23(12):3269. doi: 10.3390/molecules23123269. Molecules. 2018. PMID: 30544890 Free PMC article. Review.

10

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.

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