A computational workflow for the design of irreversible inhibitors of protein kinases.
Del Rio
Alberto
A
Dipartimento di Scienze Farmaceutiche, Università di Modena e Reggio Emilia, Via Campi 183, 41100, Modena, Italy.
Sgobba
Miriam
M
Parenti
Marco Daniele
MD
Degliesposti
Gianluca
G
Forestiero
Rosetta
R
Percivalle
Claudia
C
Conte
Pier Franco
PF
Freccero
Mauro
M
Rastelli
Giulio
G
D000595:Amino Acid Sequence; D000970:Antineoplastic Agents / Q000737:chemistry* / Q000494:pharmacology; D001665:Binding Sites; D003545:Cysteine / Q000737:chemistry; D015195:Drug Design; D006801:Humans; D019950:Mitogen-Activated Protein Kinase 1 / Q000037:antagonists & inhibitors* / Q000737:chemistry; D056004:Molecular Dynamics Simulation; D008969:Molecular Sequence Data; D011485:Protein Binding; D011487:Protein Conformation; D047428:Protein Kinase Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D013329:Structure-Activity Relationship
D000970:Antineoplastic Agents; D047428:Protein Kinase Inhibitors; D019950:Mitogen-Activated Protein Kinase 1; D003545:Cysteine