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Roberto Fino, Dr.
Roberto Fino, Dr.
CADD Scientist at Johnson&Johnson Innovative Medicine, Antwerp region
Email verificata su its.jnj.com - Home page
Titolo
Citata da
Citata da
Anno
Structure–Activity Relationship in Pyrazolo[4,3-c]pyridines, First Inhibitors of PEX14–PEX5 Protein–Protein Interaction with Trypanocidal Activity
M Dawidowski, VC Kalel, V Napolitano, R Fino, K Schorpp, ...
Journal of medicinal chemistry 63 (2), 847-879, 2019
212019
Yada: a novel tool for molecular docking calculations.
S Piotto, L Di Biasi, R Fino, R Parisi, L Sessa, S Concilio
Journal of Computer-Aided Molecular Design 30 (9), 753–759, 2016
202016
NNP/MM: accelerating molecular dynamics simulations with machine learning potentials and molecular mechanics
R Galvelis, A Varela-Rial, S Doerr, R Fino, P Eastman, TE Markland, ...
Journal of chemical information and modeling 63 (18), 5701-5708, 2023
192023
Structure and molecular recognition mechanism of IMP-13 metallo-β-lactamase
CA Softley, KM Zak, MJ Bostock, R Fino, RX Zhou, M Kolonko, ...
Antimicrobial agents and chemotherapy 64 (6), 10.1128/aac. 00123-20, 2020
172020
Introducing the CSP Analyzer: A novel Machine Learning-based application for automated analysis of two-dimensional NMR spectra in NMR fragment-based screening
R Fino, R Byrne, CA Softley, M Sattler, G Schneider, GM Popowicz
Computational and structural biotechnology journal 18, 603-611, 2020
142020
Characterization of SARS-CoV-2 replication complex elongation and proofreading activity
AN Jones, A Mourão, A Czarna, A Matsuda, R Fino, K Pyrc, M Sattler, ...
Scientific Reports 12 (1), 2045-2322, 2022
122022
Water envelope has a critical impact on the design of protein–protein interaction inhibitors
EL Ratkova, M Dawidowski, V Napolitano, G Dubin, R Fino, MS Ostertag, ...
Chemical Communications 56 (31), 4360-4363, 2020
92020
Novel algorithm for efficient distribution of molecular docking calculations
L Di Biasi, R Fino, R Parisi, L Sessa, G Cattaneo, A De Santis, P Iannelli, ...
Advances in Artificial Life, Evolutionary Computation and Systems Chemistry …, 2016
72016
NNP/MM: Fast molecular dynamics simulations with machine learning potentials and molecular mechanics
R Galvelis, A Varela-Rial, S Doerr, R Fino, P Eastman, TE Markland, ...
arXiv preprint arXiv:2201.08110, 2022
42022
Computer-aided design and synthesis of a new class of PEX14 inhibitors: substituted 2, 3, 4, 5-tetrahydrobenzo [F][1, 4] oxazepines as potential new trypanocidal agents
R Fino, D Lenhart, VC Kalel, CA Softley, V Napolitano, R Byrne, ...
Journal of Chemical Information and Modeling 61 (10), 5256-5268, 2021
42021
PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association
M Proske, R Janowski, S Bacher, HS Kang, T Monecke, T Koehler, ...
Elife 13, RP93561, 2024
32024
Development of novel PEX5-PEX14 protein-protein interaction (PPI) inhibitors based on an oxopiperazine template
Monika Marciniak, Piotr Mróz, Valeria Napolitano, Vishal C. Kalel, Roberto ...
European Journal of Medicinal Chemistry, 2023
22023
Combining Computer-Aided Drug Design, NMR-Fragment based Drug Discovery and Medicinal Chemistry in Early-Stage Drug Development
R Fino
Technische Universität München, 2021
2021
Glycosomal protein import: a new target against trypanosomiasis
V Napolitano, R Fino, C Softley, M Marciniak, VC Kalel, P Mroz, JJ Olmos, ...
FEBS OPEN BIO 9, 426-427, 2019
2019
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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