DeepFold: enhancing protein structure prediction through optimized loss functions, improved template features, and re-optimized energy function

Jae-Won Lee, Jong-Hyun Won, Seonggwang Jeon, Yujin Choo, Yubin Yeon, Jin-Seon Oh, Minsoo Kim, Seonhwa Kim, InSuk Joung, Cheongjae Jang, Sung Jong Lee, Tae Hyun Kim, Kyong Hwan Jin, Giltae Song, Eun-Sol Kim, Jejoong Yoo, Eunok Paek, Yung-Kyun Noh, Keehyoung Joo

Abstract: Predicting protein structures with high accuracy is a critical challenge for the broad community of life sciences and industry. Despite progress made by deep neural networks like AlphaFold2, there is a need for further improvements in the quality of detailed structures, such as side-chains, along with protein backbone structures.