- Tytuł:
- WIDOCK: a reactive docking protocol for virtual screening of covalent inhibitors.
- Autorzy:
- Źródło:
- Journal of computer-aided molecular design [J Comput Aided Mol Des] 2021 Feb; Vol. 35 (2), pp. 223-244. Date of Electronic Publication: 2021 Jan 18.
- Typ publikacji:
- Journal Article; Research Support, Non-U.S. Gov't
- MeSH Terms:
-
Alkyl and Aryl Transferases/*chemistry
Cathepsin B /*chemistry
Enzyme Inhibitors/*chemistry
Proto-Oncogene Proteins p21(ras)/*chemistry
Amino Acid Sequence ; Binding Sites ; Cysteine/chemistry ; Glutathione/chemistry ; Ligands ; Molecular Docking Simulation ; Protein Binding ; Protein Conformation ; Software ; Structure-Activity Relationship
Czasopismo naukowe