作者
Dmitrii Aleksandrovich Zheltkov, Igor Vladimirivich Oferkin, Ekaterina Vladimirovna Katkova, Aleksey Vladimirovich Sulimov, Vladimir Borisovich Sulimov, Eugene Evgen'evich Tyrtyshnikov
发表日期
2013
期刊
Numerical methods and programming
卷号
14
期号
3
页码范围
279-291
出版商
Lomonosov Moscow State University
简介
A new docking method based on tensor train decomposition is proposed. This method allows one to find the position of the energy global minimum for the ligand-protein system with a high probability. The proposed method is compared with one of the best genetic algorithm docking program SOL. According to the testing results, the docking method based on tensor train decompositions is up to 10 times faster, whereas the energy global optimum is reached with the same probability.
学术搜索中的文章
DA Zheltkov, IV Oferkin, EV Katkova, AV Sulimov… - Numerical methods and programming, 2013