Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
6877684 | Journal of Molecular Graphics and Modelling | 2014 | 8 Pages |
Abstract
- Predictions of PI3K-inhibitor complex was performed.
- Usefulness of the combination between docking and superposition was evaluated.
- The refinement of docking structures by MD simulations should be conducted.
- The bifurcated hydrogen bond plays important role in ligand recognition.
- The hydrophobic effects influence the inhibitory activities for PI3K.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Akifumi Oda, Ken Saijo, Chikashi Ishioka, Koichi Narita, Tadashi Katoh, Yurie Watanabe, Shuichi Fukuyoshi, Ohgi Takahashi,