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1 Ergebnisse
1
Enhanced-Sampling Simulations for the Estimation of Ligand ..:
Ahmad, Katya
;
Rizzi, Andrea
;
Capelli, Riccardo
...
info:eu-repo/semantics/altIdentifier/pmid/35755817. , 2022
Link:
https://hdl.handle.net/2434/933797
RT Journal T1
Enhanced-Sampling Simulations for the Estimation of Ligand Binding Kinetics: Current Status and Perspective
UL https://suche.suub.uni-bremen.de/peid=base-ftunivmilanoair:oai:air.unimi.it:2434_933797&Exemplar=1&LAN=DE A1 Ahmad, Katya A1 Rizzi, Andrea A1 Capelli, Riccardo A1 Mandelli, Davide A1 Lyu, Wenping A1 Carloni, Paolo PB FRONTIERS MEDIA SA YR 2022 K1 QM/MM K1 drug discovery K1 enhanced sampling K1 kinetic K1 machine learning K1 molecular dynamic K1 parallel computing K1 Settore FIS/07 - Fisica Applicata(Beni Culturali K1 Ambientali K1 Biol.e Medicin) K1 Settore BIO/10 - Biochimica K1 Settore CHIM/02 - Chimica Fisica JF info:eu-repo/semantics/altIdentifier/pmid/35755817 LK http://dx.doi.org/https://hdl.handle.net/2434/933797 DO https://hdl.handle.net/2434/933797 SF ELIB - SuUB Bremen
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