Abstract
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.
Original language | English |
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Pages (from-to) | 219-224 |
Number of pages | 6 |
Journal | Journal of Chemical Information and Modeling |
Volume | 58 |
Issue number | 2 |
Early online date | 17 Jan 2018 |
DOIs | |
Publication status | Published - 26 Feb 2018 |
Bibliographical note
ACS AuthorChoice - This is an open access article published under an ACS AuthorChoice License, which permits copying and redistribution of the article or any adaptations for non-commercial purposes.ASJC Scopus subject areas
- Chemistry(all)
- Chemical Engineering(all)
- Computer Science Applications
- Library and Information Sciences