Article
Geofold: topology-based protein unfolding pathways capture the effects of engineered disulfides on kinetic stability.
Proteins - 1 Mar 2012
Ramakrishnan Vibin, Srinivasan Sai Praveen, Salem Saeed M, Matthews Suzanne J, Colón Wilfredo, Zaki Mohammed, Bystroff Christopher
Abstract excerpt
Protein unfolding is modeled as an ensemble of pathways, where each step in each pathway is the addition of one topologically possible conformational degree of freedom. Starting with a known protein structure, GeoFold hierarchically partitions (cuts) the native structure into substructures using revolute joints and translations. The energy of each cut and its activation barrier are calculated using buried solvent...
Read the complete abstract on PubMedTopics
Share this publication in a Topic to start or enrich a Post.
