Computational Sciences, Istituto Italiano di Tecnologia , Via Morego 30, 16163 Genova, Italy.
BiKi Technologies s.r.l , Via XX Settembre, n. 33/10, 16121 Genova, Italy.
J Chem Inf Model. 2018 Feb 26;58(2):219-224. doi: 10.1021/acs.jcim.7b00680. Epub 2018 Jan 31.
In this paper, we introduce the BiKi Life Sciences suite. This software makes it easy for computational medicinal chemists to run ad hoc molecular dynamics protocols in a novel and task-oriented environment; as a notebook, BiKi (acronym of Binding Kinetics) keeps memory of any activity together with dependencies among them. It offers unique accelerated protein-ligand binding/unbinding methods and other useful tools to gain actionable knowledge from molecular dynamics simulations and to simplify the drug discovery process.
在本文中，我们介绍了 BiKi 生命科学套件。这款软件为计算药物化学家提供了一个新颖的、面向任务的环境，使他们能够轻松运行特定的分子动力学协议；作为一个笔记本，BiKi（Binding Kinetics 的缩写）保留了任何活动及其之间的依赖关系的记忆。它提供了独特的加速蛋白质-配体结合/解吸方法和其他有用的工具，可从分子动力学模拟中获取可操作的知识，并简化药物发现过程。
