Ontology highlight
ABSTRACT:
SUBMITTER: Orellana L
PROVIDER: S-EPMC6748756 | biostudies-literature | 2019 Sep
REPOSITORIES: biostudies-literature
Orellana Laura L Gustavsson Johan J Bergh Cathrine C Yoluk Ozge O Lindahl Erik E
Bioinformatics (Oxford, England) 20190901 18
<h4>Summary</h4>Understanding how proteins transition between different conformers, and how conformers relate to each other in terms of structure and function, is not trivial. Here, we present an online tool for transition pathway generation between two protein conformations using Elastic Network Driven Brownian Dynamics Importance Sampling, a coarse-grained simulation algorithm, which spontaneously predicts transition intermediates trapped experimentally. In addition to path-generation, the ser ...[more]