OPUS-Mut: Studying the Effect of Protein Mutation through Side-Chain Modeling.

ABSTRACT: Predicting the effect of protein mutation is crucial in many applications such as protein design, protein evolution, and genetic disease analysis. Structurally, mutation is basically the replacement of the side chain of a particular residue. Therefore, accurate side-chain modeling is useful in studying the effect of mutation. Here, we propose a computational method, namely, OPUS-Mut, which significantly outperforms other backbone-dependent side-chain modeling methods including our previous method OPUS-Rota4. We evaluate OPUS-Mut by four case studies on Myoglobin, p53, HIV-1 protease, and T4 lysozyme. The results show that the predicted structures of side chains of different mutants are consistent well with their experimentally determined results. In addition, when the residues with signifi

SUBMITTER: Xu G 

PROVIDER: S-EPMC10018731 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature