| No 主観的健康感を中心とした在宅高齢者における 健康関連指標に関する共分散構造分析 Title A Çelik, H Yaman, S Turan, A Kara, F Kara, B Zhu, X Qu, Y Tao, Z Zhu, ... Journal of Materials Processing Technology 1 (1), 1-8, 2018 | 313 | 2018 |
| 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 | 106 | 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 | 101 | 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 | 65 | 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 | 60 | 2019 |
| 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 | 45 | 2022 |
| 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 | 37 | 2018 |
| 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 | 29 | 2019 |
| 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 | 29 | 2015 |
| 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 | 26 | 2021 |
| 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 | 22 | 2019 |
| 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 | 18 | 2022 |
| Biased docking for protein–ligand pose prediction JP Arcon, AG Turjanski, MA Martí, S Forli Protein-ligand interactions and drug design, 39-72, 2021 | 18 | 2021 |
| Hospital, A.,… Crothers, DM (2018). No 主観的健康感を中心とした在宅高齢者における 健康関連指標に関する共分散構造分析 Title X Chen, MY Tsai, PG Wolynes, G da Rosa, L Grille, V Calzada, K Ahmad, ... Nucleic Acids Research 6 (1), 1-7, 0 | 8 | |
| 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 | 7 | 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 | 7 | 2022 |
| Adam Hospital, Charles Laughton, John H G da Rosa, L Grille, V Calzada, K Ahmad, JP Arcon, F Battistini, G Bayarri, ... Maddocks, Agnes Noy, Modesto Orozco, Marco Pasi, Alberto Pérez, Daiva …, 0 | 5 | |
| Hospital G da Rosa, L Grille, V Calzada, K Ahmad, JP Arcon, F Battistini, G Bayarri, ... C Laughton, JH Maddocks, A Noy, M Orozco, M Pasi, A Perez, D Petkeviciute …, 0 | 5 | |
| 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 | 4 | 2022 |
| CGeNArate: a sequence-dependent coarse-grained model of DNA for accurate atomistic MD simulations of kb-long duplexes D Farré-Gil, JP Arcon, CA Laughton, M Orozco Nucleic Acids Research 52 (12), 6791-6801, 2024 | 3 | 2024 |
Marcelo MartiProf of Biological Chemistry, University of Buenos AiresPatvirtintas el. paštas qi.fcen.uba.ar