Journal Article

FZJ-2023-02601

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Metadynamics simulations of ligands binding to protein surfaces: a novel tool for rational drug design

Zuo, K.FZJ* ; Kranjc, A.FZJ* ; Capelli, R. ; Rossetti, G.FZJ* ; Nechushtai, R. ; Carloni, P. (Corresponding author)FZJ*

2023
RSC Publ. Cambridge

This record in other databases:      

Please use a persistent id in citations: doi:10.1039/D3CP01388J  doi:10.34734/FZJ-2023-02601

---

Contributing Institute(s):

1. Computational Biomedicine (IAS-5)
2. Computational Biomedicine (INM-9)
3. Jülich Supercomputing Center (JSC)

Research Program(s):

1. 5241 - Molecular Information Processing in Cellular Systems (POF4-524) (POF4-524)
2. 5111 - Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups (POF4-511) (POF4-511)

Appears in the scientific report 2023

---

Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF < 5 ; JCR ; National-Konsortium ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

---