We present fully automated and computationally efficient protein 3D structure refinement software called i3Drefine, based on an iterative and highly convergent energy minimization algorithm with a powerful all-atom composite physics and knowledge-based force fields and hydrogen bonding (HB) network optimization technique. In the recent community-wide blind experiment, CASP10, i3Drefine (as 'MULTICOM-CONSTRUCT') was ranked as the best method in the server section as per the official assessment of CASP10 experiment. Our analysis demonstrates that i3Drefine is only fully-automated server participating in CASP10 exhibiting consistent improvement over the initial structures in both global and local structural quality metrics. Executable version of i3Drefine software is freely available at http://protein.rnet.missouri.edu/i3drefine/.
['Debswapna Bhattacharya', 'Jianlin Cheng']
Automated protein structure refinement using i3Drefine software and its assessment in CASP10