Search Results for author: Yuanyuan Qu

Found 2 papers, 1 papers with code

OnionNet-2: A Convolutional Neural Network Model for Predicting Protein-Ligand Binding Affinity based on Residue-Atom Contacting Shells

1 code implementation22 Mar 2021 Zechen Wang, Liangzhen Zheng, Yang Liu, Yuanyuan Qu, Yong-Qiang Li, Mingwen Zhao, Yuguang Mu, Weifeng Li

In this study, we proposed a simple scoring function (called OnionNet-2) based on convolutional neural network to predict $\triangle$$G$.

Quantitative Interpretations of Energetic Features and Key Residues at SARS Coronavirus Spike Receptor-Binding Domain and ACE2 Receptor Interface

no code implementations11 Mar 2021 Yanmei Yang, Yunju Zhang, Yuanyuan Qu, Xuewei Liu, Mingwen Zhao, Yuguang Mu, Weifeng Li

Energy decomposition analyses identified three binding patches in the SARS-CoV-2 RBD and eleven key residues (Phe486, Tyr505, Asn501, Tyr489, Gln493, Leu455 and etc) which are believed to be the main targets for drug development.

Cannot find the paper you are looking for? You can Submit a new open access paper.