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 | 434 | 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 | 103 | 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 | 66 | 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 | 62 | 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 | 46 | 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 | 27 | 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 |
Biased docking for protein–ligand pose prediction JP Arcon, AG Turjanski, MA Martí, S Forli Protein-ligand interactions and drug design, 39-72, 2021 | 19 | 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 | 17 | 2022 |
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 |
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 XXXX Chen, MY Tsai, PG Wolynes, G da Rosa, L Grille, V Calzada, ... Nucleic Acids Research 6 (1), 1-7, 2018 | 5 | 2018 |
Hospital G da Rosa, L Grille, V Calzada, K Ahmad, JP Arcon, F Battistini, G Bayarri, ... A, 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, gkae444, 2024 | 3 | 2024 |