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Juan Pablo Arcon
Juan Pablo Arcon
Nostrum Biodiscovery
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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
4342018
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
1062017
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
1032021
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
662015
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
622019
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
462022
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
372018
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
292019
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
292015
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
272021
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
222019
Biased docking for protein–ligand pose prediction
JP Arcon, AG Turjanski, MA Martí, S Forli
Protein-ligand interactions and drug design, 39-72, 2021
192021
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
172022
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
72022
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
72022
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
52018
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
42022
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
32024
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