| The structural biology of galectin-ligand recognition: current advances in modeling tools, protein engineering, and inhibitor design CP Modenutti, JIB Capurro, S Di Lella, MA Martí Frontiers in Chemistry 7, 823, 2019 | 96 | 2019 |
| Molecular dynamics in mixed solvents reveals protein–ligand interactions, improves docking, and allows accurate binding free energy predictions JP Arcon, LA Defelipe, CP Modenutti, ED López, D Alvarez-Garcia, ... Journal of chemical information and modeling 57 (4), 846-863, 2017 | 89 | 2017 |
| WATCLUST: a tool for improving the design of drugs based on protein-water interactions ED Lopez, JP Arcon, DF Gauto, AA Petruk, CP Modenutti, VG Dumas, ... Bioinformatics 31 (22), 3697-3699, 2015 | 57 | 2015 |
| AutoDock Bias: improving binding mode prediction and virtual screening using known protein–ligand interactions JP Arcon, CP Modenutti, D Avendaño, ED Lopez, LA Defelipe, ... Bioinformatics 35 (19), 3836-3838, 2019 | 51 | 2019 |
| Solvent structure improves docking prediction in lectin–carbohydrate complexes DF Gauto, AA Petruk, CP Modenutti, JI Blanco, S Di Lella, MA Martí Glycobiology 23 (2), 241-258, 2013 | 46 | 2013 |
| Solvents to fragments to drugs: MD applications in drug design LA Defelipe, JP Arcon, CP Modenutti, MA Marti, AG Turjanski, X Barril Molecules 23 (12), 3269, 2018 | 32 | 2018 |
| A Carboxy-Terminal Monoleucine-Based Motif Participates in the Basolateral Targeting of the Na+/I− Symporter M Martín, CP Modenutti, V Peyret, RC Geysels, E Darrouzet, T Pourcher, ... Endocrinology 160 (1), 156-168, 2019 | 31 | 2019 |
| Cosolvent-based protein pharmacophore for ligand enrichment in virtual screening JP Arcon, LA Defelipe, ED Lopez, O Burastero, CP Modenutti, X Barril, ... Journal of Chemical Information and Modeling 59 (8), 3572-3583, 2019 | 26 | 2019 |
| Exploring lectin-like activity of the S-layer protein of Lactobacillus acidophilus ATCC 4356 J Fina Martin, MM Palomino, AM Cutine, CP Modenutti, ... Applied microbiology and biotechnology 103, 4839-4857, 2019 | 23 | 2019 |
| Using crystallographic water properties for the analysis and prediction of lectin–carbohydrate complex structures C Modenutti, D Gauto, L Radusky, J Blanco, A Turjanski, S Hajos, ... Glycobiology 25 (2), 181-196, 2015 | 22 | 2015 |
| From genome to drugs: new approaches in antimicrobial discovery F Serral, FA Castello, EJ Sosa, AM Pardo, MC Palumbo, C Modenutti, ... Frontiers in Pharmacology 12, 647060, 2021 | 19 | 2021 |
| Clamping, bending, and twisting inter-domain motions in the misfold-recognizing portion of UDP-glucose: Glycoprotein glucosyltransferase CP Modenutti, JIB Capurro, R Ibba, DS Alonzi, MN Song, S Vasiljević, ... Structure 29 (4), 357-370. e9, 2021 | 17 | 2021 |
| A remote secondary binding pocket promotes heteromultivalent targeting of DC-SIGN R Wawrzinek, EC Wamhoff, J Lefebre, M Rentzsch, G Bachem, ... Journal of the American Chemical Society 143 (45), 18977-18988, 2021 | 16 | 2021 |
| A Novel SLC5A5 Variant Reveals the Crucial Role of Kinesin Light Chain 2 in Thyroid Hormonogenesis M Martín, CP Modenutti, ML Gil Rosas, V Peyret, RC Geysels, ... The Journal of Clinical Endocrinology & Metabolism 106 (7), 1867-1881, 2021 | 16 | 2021 |
| VarQ: a tool for the structural and functional analysis of human protein variants L Radusky, C Modenutti, J Delgado, JP Bustamante, S Vishnopolska, ... Frontiers in Genetics 9, 620, 2018 | 15 | 2018 |
| Treatment with a new peroxisome proliferator-activated receptor gamma agonist, pyridinecarboxylic acid derivative, increases angiogenesis and reduces inflammatory mediators in … FN Penas, D Carta, G Dmytrenko, GA Mirkin, CP Modenutti, ÁC Cevey, ... Frontiers in Immunology 8, 291402, 2017 | 14 | 2017 |
| First Whole-Genome Shotgun Sequence of a Promising Cellulase Secretor, Trichoderma koningiopsis Strain POS7 ML Castrillo, GÁ Bich, C Modenutti, A Turjanski, PD Zapata, LL Villalba Genome Announcements 5 (37), 10.1128/genomea. 00823-17, 2017 | 10 | 2017 |
| An efficient use of X-ray information, homology modeling, molecular dynamics and knowledge-based docking techniques to predict protein–monosaccharide complexes JI Blanco Capurro, M Di Paola, MD Gamarra, MA Martí, CP Modenutti Glycobiology 29 (2), 124-136, 2019 | 9 | 2019 |
| Origin and Evolution of Two Independently Duplicated Genes Encoding UDP- Glucose: Glycoprotein Glucosyltransferases in Caenorhabditis and Vertebrates DA Caraballo, LI Buzzi, CP Modenutti, A Acosta-Montalvo, OA Castro, ... G3: Genes, Genomes, Genetics 10 (2), 755-768, 2020 | 6 | 2020 |
| LigQ: A Webserver to Select and Prepare Ligands for Virtual Screening L Radusky, S Ruiz-Carmona, C Modenutti, X Barril, AG Turjanski, ... Journal of chemical information and modeling 57 (8), 1741-1746, 2017 | 5 | 2017 |
Marcelo MartiProf of Biological Chemistry, University of Buenos AiresEmail verificata su qi.fcen.uba.ar
