Name
Title | ||
|---|---|---|
BiKi Life Sciences: a New Suite for Molecular Dynamics and Related Methods in Drug Discovery. |
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. |
Year | DOI | Venue |
|---|---|---|
2018 | 10.1021/acs.jcim.7b00680 | JOURNAL OF CHEMICAL INFORMATION AND MODELING |
DocType | Volume | Issue |
Journal | 58 | 2 |
ISSN | Citations | PageRank |
1549-9596 | 1 | 0.35 |
References | Authors | |
0 | 5 | |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Sergio Decherchi | 1 | 174 | 17.28 |
| Giovanni Bottegoni | 2 | 86 | 7.15 |
| Andrea Spitaleri | 3 | 2 | 1.40 |
| Walter Rocchia | 4 | 105 | 14.23 |
| Andrea Cavalli | 5 | 2 | 4.12 |