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2023
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TUM School of Computation, Information and Technology
Simulation von Nanosystemen für Energiewandlungen (Prof. Gagliardi)
10.1002/chem.202302375
Title:
Application of Machine Learning Algorithms to Metadynamics for the Elucidation of the Binding Modes and Free Energy Landscape of Drug/Target Interactions: a Case Study
Document type:
Zeitschriftenaufsatz
Author(s):
Siddiqui, Gohar Ali; Stebani, Julia A.; Wragg, Darren; Koutsourelakis, Phaedon‐Stelios; Casini, Angela; Gagliardi, Alessio
Journal title:
Chemistry – A European Journal
Year:
2023
Journal volume:
29
Journal issue:
62
Fulltext / DOI:
doi:10.1002/chem.202302375
Publisher:
Wiley
E-ISSN:
0947-65391521-3765
Date of publication:
28.09.2023
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mediaTUM Gesamtbestand
Hochschulbibliographie
2023
Schools und Fakultäten
TUM School of Computation, Information and Technology
Simulation von Nanosystemen für Energiewandlungen (Prof. Gagliardi)
mediaTUM Gesamtbestand
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TUM School of Computation, Information and Technology
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Electrical Engineering
Simulation von Nanosystemen für Energiewandlungen (Prof. Gagliardi)
2023