応用生物情報学および計算生物学ジャーナル

Noncovalent Interactions Structural Analysis In cyclin dependent kinase complex

Navyasree Nuthalapati*

In the present work we have analyzed these interactions in the cyclin-dependent kinase complex 2ATP complexes as well as CDK2 inhibitor complexes. Based on these interactions we have developed multiple regression models to account for the experimentally observed IC50 values. We have made extensive analysis of the amino acids ATP contacts amino acids inhibitor contacts. Also the extend of similarity between the various ligands has been quantified using 2D and 3D analysis methods