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Andreas Luttens
Andreas Luttens
Подтвержден адрес электронной почты в домене mit.edu
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Процитировано
Процитировано
Год
A practical guide to large-scale docking
BJ Bender, S Gahbauer, A Luttens, J Lyu, CM Webb, RM Stein, EA Fink, ...
Nature protocols 16 (10), 4799-4832, 2021
4032021
Ultralarge virtual screening identifies SARS-CoV-2 main protease inhibitors with broad-spectrum activity against coronaviruses
A Luttens, H Gullberg, E Abdurakhmanov, DD Vo, D Akaberi, VO Talibov, ...
Journal of the American Chemical Society 144 (7), 2905-2920, 2022
1912022
Importance of binding site hydration and flexibility revealed when optimizing a macrocyclic inhibitor of the Keap1–Nrf2 protein–protein interaction
F Begnini, S Geschwindner, P Johansson, L Wissler, RJ Lewis, ...
Journal of medicinal chemistry 65 (4), 3473-3517, 2022
242022
Docking finds GPCR ligands in dark chemical matter
F Ballante, A Rudling, A Zeifman, A Luttens, DD Vo, JJ Irwin, J Kihlberg, ...
Journal of Medicinal Chemistry 63 (2), 613-620, 2019
202019
Structure-based virtual screening of vast chemical space as a starting point for drug discovery
J Carlsson, A Luttens
Current Opinion in Structural Biology 87, 102829, 2024
142024
Design of Drug Efficacy Guided by Free Energy Simulations of the β2‐Adrenoceptor
N Panel, DD Vo, NA Kahlous, H Hübner, S Tiedt, P Matricon, J Pacalon, ...
Angewandte Chemie International Edition 62 (22), e202218959, 2023
132023
Structure-based virtual screening discovers potent and selective adenosine A1 receptor antagonists
P Matricon, ATN Nguyen, DD Vo, JA Baltos, M Jaiteh, A Luttens, ...
European Journal of Medicinal Chemistry 257, 115419, 2023
92023
Rapid traversal of ultralarge chemical space using machine learning guided docking screens
A Luttens, IC de Vaca, L Sparring, U Norinder, J Carlsson
52023
Publisher Correction: A practical guide to large-scale docking
BJ Bender, S Gahbauer, A Luttens, J Lyu, CM Webb, RM Stein, EA Fink, ...
Nature protocols 17 (1), 177, 2022
32022
A practical guide to large-scale docking (vol 16, pg 4799, 2021)
BJ Bender, S Gahbauer, A Luttens, J Lyu, CM Webb, RM Stein, EA Fink, ...
NATURE PROTOCOLS 17 (1), 177-177, 2022
22022
Substituted hydantoin compounds, methods for preparation thereof and use thereof in the treatment and/or prevention of a corona virus disease
J Carlsson, H Danielson, L Moodie, A Sandströrm, MA Amin, ...
US Patent App. 18/556,116, 2024
2024
Discovery of Chemical Probes through Structure-based Virtual Screening of Vast Compound Databases
A Luttens
Acta Universitatis Upsaliensis, 2023
2023
Virtual Fragment Screening for DNA Repair Inhibitors in Vast Chemical Space
A Luttens, D Vo, E Scaletti, E Wiita, I Almlöf, O Wallner, J Davies, ...
2023
Structure-based optimization of a macrocyclic inhibitor of the Keap1-Nrf2 protein-protein interaction
F Begnini, S Geschwindner, P Johansson, L Wissler, R Lewis, E Danelius, ...
2021
Docking finds GPCR ligands in dark chemical matter
A Rudling, D Vo, J Irwin, J Brea, F Ballante, J Kihlberg, M Loza, ...
American Chemical Society SciMeetings 1 (2), 2020
2020
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Статьи 1–15