| Re: non-toxic Build Evolutionary Library [message #2022 is a reply to message #2006] |
Sun, 08 October 2023 22:50  |
juliocoll
Messages: 33
Registered: January 2023
Location: Madrid SPAIN
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In case any of you would be interested in finding more about possible docking applications for the Build Evolutionary Library, BEL of recent versions of Data Warrior,
BEL co-evolution criteria was comparatively applied as a preliminary attempt to improve putative control predictions of coagulation, antibiotics, cancer, diabetes, or fibrosis.
The report, included 9 protein targets (Vkorc1, FtsZ, Sglt1, Vegfr, Nkcc1, Hsp47, Sglt2, P2x3r, LolEC) ,their corresponding reference ligands (parents) and their corresponding dwar and pdb data files.
It can be found at:
https://chemrxiv.org/engage/chemrxiv/article-details/6512b16 2ade1178b2424c325
More fine-tunings still being cooked.......
Julio Coll
Profesor de Investigación. Emérito
Dpt.Biotecnología
CSIC-centro Nacional INIA, Madrid, SPAIN
Dr. Biologia Univ.Comp(UCM). Madrid, Spain
PHD. Biology Mass.Inst,Technol (MIT). Massachusetts, USA
orcid: 0000-0001-8496-3493
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