carlesperez94/frag_pele
FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand conformational space
PythonMIT
Stargazers
- abhik1368KatanaGraph
- agiani99Fraunhofer ITMP Screenport
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- carlesperez94@NBDsoftware
- CoryKornowicz
- danielSoler93NBD | NostrumBioDiscovery
- e-osipovKU Leuven
- gkxiaoGuangzhou Molcalx Information & Technology
- HaotianZhangAI4ScienceUniversity of Washington
- HCl0906
- honeyspoonMontreal
- huanyusb
- iwatobipenDaiichi-Sankyo
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- leelasdYale University
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- sreeganbUniversity of California
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- ZCLIU-2022