This title appears in the Scientific Report :
2023
Please use the identifier:
http://dx.doi.org/10.1039/D3CP01388J in citations.
Please use the identifier: http://dx.doi.org/10.34734/FZJ-2023-02601 in citations.
Metadynamics simulations of ligands binding to protein surfaces: a novel tool for rational drug design
Metadynamics simulations of ligands binding to protein surfaces: a novel tool for rational drug design
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Personal Name(s): | Zuo, Ke |
---|---|
Kranjc, Agata / Capelli, Riccardo / Rossetti, Giulia / Nechushtai, Rachel / Carloni, Paolo (Corresponding author) | |
Contributing Institute: |
Jülich Supercomputing Center; JSC Computational Biomedicine; INM-9 Computational Biomedicine; IAS-5 |
Published in: | Physical chemistry, chemical physics, 25 (2023) 20, S. 13819 - 13824 |
Imprint: |
Cambridge
RSC Publ.
2023
|
DOI: |
10.1039/D3CP01388J |
DOI: |
10.34734/FZJ-2023-02601 |
Document Type: |
Journal Article |
Research Program: |
Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups Molecular Information Processing in Cellular Systems |
Link: |
OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://dx.doi.org/10.34734/FZJ-2023-02601 in citations.
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