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Updated: Jul 15, 2025

Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins
05:08

Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins

Published on: July 8, 2025

36

码头6:通过预先计算的连接体构造进行分层穿越,以实现大规模的对接

Trent E Balius1, Y Stanley Tan1, Mayukh Chakrabarti1

  • 1NCI RAS Initiative, Cancer Research Technology Program, Frederick National Laboratory for Cancer Research, Leidos Biomedical Research, Inc., Frederick, Maryland, USA.

Journal of computational chemistry
|September 25, 2023
PubMed
概括

我们通过添加层次数据库搜索来增强DOCK 6的分子选功能,提高速度,但略降低姿势准确性. 在DOCK 6中对接后扭力最小化最终超过了DOCK 3.7的性能.

关键词:
药物领先发现方法的方法灵活的基础搜索大规模的虚拟查.分子对接的分子对接.

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