Predicting binding energies of CDK6 inhibitors in the hit-to-lead process

Theoretical Chemistry Accounts

Volumn 128, Issue 4, 2011, Pages 807-823

  Delgado Soler, Laura ^a   Ariñez Soriano, Javier ^a   Granadino Roldan J M ^b   Rubio Martinez, Jaime ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITY OF JAÉN   (Spain)

Author keywords

Binding energy; CDK6 inhibitors; Docking; Drug design; MMPB GBSA

Indexed keywords

EID: 79952189610     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-010-0857-9     Document Type: Article

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