29 citations · 56 across the 16 of their papers we have counts for
3 papers · 1 filter
Decoy Selection for Protein Structure Prediction Via Extreme Gradient Boosting and Ranking
Nasrin Akhter, Gopinath Chennupati, Hristo Djidjev +1
Identifying one or more biologically-active/native decoys from millions of non-native decoys is one of the major challenges in computational structural biology. The extreme lack of…
Generating Tertiary Protein Structures via an Interpretative Variational Autoencoder
Xiaojie Guo, Yuanqi Du, Sivani Tadepalli +2
Much scientific enquiry across disciplines is founded upon a mechanistic treatment of dynamic systems that ties form to function. A highly visible instance of this is in molecular…
ROMEO: A Plug-and-play Software Platform of Robotics-inspired Algorithms for Modeling Biomolecular Structures and Motions
Kevin Molloy, Erion Plaku, Amarda Shehu
Motivation: Due to the central role of protein structure in molecular recognition, great computational efforts are devoted to modeling protein structures and motions that mediate s…