| 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 |
| Impact of DNA methylation on 3D genome structure D Buitrago, M Labrador, JP Arcon, R Lema, O Flores, A Esteve-Codina, ... Nature Communications 12 (1), 3243, 2021 | 67 | 2021 |
| 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 |
| 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 |
| Molecular mechanism of myoglobin autoxidation: insights from computer simulations JP Arcon, P Rosi, AA Petruk, MA Marti, DA Estrin The Journal of Physical Chemistry B 119 (5), 1802-1813, 2015 | 27 | 2015 |
| Deciphering the mechanical code of the genome and epigenome A Basu, DG Bobrovnikov, B Cieza, JP Arcon, Z Qureshi, M Orozco, T Ha Nature structural & molecular biology 29 (12), 1178-1187, 2022 | 26 | 2022 |
| 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 |
| Kinase activation by small conformational changes ED Lopez, O Burastero, JP Arcon, LA Defelipe, NG Ahn, MA Marti, ... Journal of chemical information and modeling 60 (2), 821-832, 2019 | 19 | 2019 |
| Sequence-dependent structural properties of B-DNA: what have we learned in 40 years? G Da Rosa, L Grille, V Calzada, K Ahmad, JP Arcon, F Battistini, G Bayarri, ... Biophysical Reviews, 1-11, 2021 | 16 | 2021 |
| Biased docking for protein–ligand pose prediction JP Arcon, AG Turjanski, MA Martí, S Forli Protein-ligand interactions and drug design, 39-72, 2021 | 10 | 2021 |
| MiOS, an integrated imaging and computational strategy to model gene folding with nucleosome resolution MV Neguembor, JP Arcon, D Buitrago, R Lema, J Walther, X Garate, ... Nature structural & molecular biology 29 (10), 1011-1023, 2022 | 9 | 2022 |
| Solvent Sites Improve Docking Performance of Protein–Protein Complexes and Protein–Protein Interface-Targeted Drugs GF Mayol, LA Defelipe, JP Arcon, AG Turjanski, MA Marti Journal of Chemical Information and Modeling 62 (15), 3577-3588, 2022 | 6 | 2022 |
| Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors O Burastero, LA Defelipe, G Gola, NL Tateosian, ED Lopez, CB Martinena, ... Journal of medicinal chemistry 65 (14), 9691-9705, 2022 | 5 | 2022 |
| Specificity and Reactivity of Mycobacterium tuberculosis Serine/Threonine Kinases PknG and PknB O Burastero, M Cabrera, ED Lopez, LA Defelipe, JP Arcon, R Durán, ... Journal of Chemical Information and Modeling 62 (7), 1723-1733, 2022 | 3 | 2022 |
| Determinantes moleculares de la interacción droga-proteína: uso de cosolventes como moléculas de prueba JP Arcón | | 2018 |
Marcelo MartiProf of Biological Chemistry, University of Buenos AiresEmail verificata su qi.fcen.uba.ar
