科研项目详细信息
In silico insights into binding affinity and kinetics of small molecules binding to HSP90 or Pin1
Westermaier Yvonne
Institution abroad - IACH
keywords:Structure- and fragment-based drug design; in silico binding affinity prediction; conformational plasticity; de novo ligand design; molecular dynamics; thermodynamic integration; free energy perturbation; steered molecular dynamics; heat shock protein 90 (HSP90); Peptidyl prolyl cis/trans isomerase (Pin1)
keywords:
Subject:化学(综合)
瑞士|英语
2012至2012
Source: 瑞士国家科学基金会
Link: http://p3.snf.ch/Pages/DataAndDocumentation.aspx