TY - GEN AU - da Silva,Vinicius Barreto AU - Kawano,Daniel Fábio AU - Gomes,Adriane da Silveira AU - Carvalho,Ivone AU - Taft,Carlton Anthony AU - da Silva,Carlos Henrique Tomich de Paula TI - Molecular dynamics, density functional, ADMET predictions, virtual screening, and molecular interaction field studies for identification and evaluation of novel potential CDK2 inhibitors in cancer therapy SN - 1520-5215 PY - 2009///0115 KW - Animals KW - Computational Biology KW - Cyclin-Dependent Kinase 2 KW - antagonists & inhibitors KW - Databases, Factual KW - Drug Evaluation, Preclinical KW - methods KW - Humans KW - Models, Molecular KW - Neoplasms KW - drug therapy KW - Protein Conformation KW - Protein Kinase Inhibitors KW - chemistry KW - Quantum Theory KW - Rats KW - Thermodynamics N1 - Publication Type: Journal Article; Research Support, Non-U.S. Gov't UR - https://doi.org/10.1021/jp8011969 ER -