Quantum mechanical pairwise decomposition analysis of protein kinase B inhibitors: validating a new tool for guiding drug design.
Zhang, Xiaohua
Quantum mechanical pairwise decomposition analysis of protein kinase B inhibitors: validating a new tool for guiding drug design. [electronic resource] - Journal of chemical information and modeling Apr 2010 - 651-61 p. digital
Publication Type: Journal Article; Research Support, N.I.H., Extramural; Validation Study
1549-960X
10.1021/ci9003333 doi
Amino Acid Sequence
Drug Design
Least-Squares Analysis
Ligands
Models, Molecular
Molecular Sequence Data
Protein Conformation
Protein Kinase Inhibitors--chemistry
Proto-Oncogene Proteins c-akt--antagonists & inhibitors
Quantum Theory
Structure-Activity Relationship
Thermodynamics
Quantum mechanical pairwise decomposition analysis of protein kinase B inhibitors: validating a new tool for guiding drug design. [electronic resource] - Journal of chemical information and modeling Apr 2010 - 651-61 p. digital
Publication Type: Journal Article; Research Support, N.I.H., Extramural; Validation Study
1549-960X
10.1021/ci9003333 doi
Amino Acid Sequence
Drug Design
Least-Squares Analysis
Ligands
Models, Molecular
Molecular Sequence Data
Protein Conformation
Protein Kinase Inhibitors--chemistry
Proto-Oncogene Proteins c-akt--antagonists & inhibitors
Quantum Theory
Structure-Activity Relationship
Thermodynamics