[HTML][HTML] Solvated interaction energy: from small-molecule to antibody drug design

EO Purisima, CR Corbeil, F Gaudreault… - Frontiers in Molecular …, 2023 - frontiersin.org
Scoring functions are ubiquitous in structure-based drug design as an aid to predicting
binding modes and estimating binding affinities. Ideally, a scoring function should be …

[HTML][HTML] A cross-reactive pH-dependent EGFR antibody with improved tumor selectivity and penetration obtained by structure-guided engineering

X Liu, X Tian, X Hao, H Zhang, K Wang, Z Wei… - Molecular Therapy …, 2022 - cell.com
The clinical use of anti-EGFR antibody-based cancer therapy has been limited by antibody-
EGFR binding in normal tissues, so developing pH-dependent anti-EGFR antibodies that …

Comparative Performance of High-Throughput Methods for Protein pKa Predictions

W Wei, H Hogues, T Sulea - Journal of Chemical Information and …, 2023 - ACS Publications
The medically relevant field of protein-based therapeutics has triggered a demand for
protein engineering in different pH environments of biological relevance. In silico …

Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab

J Sun, X Zhang, L Xue, L Cheng, J Zhang, X Chen… - Structure, 2024 - cell.com
TIGIT is mainly expressed on T cells and is an inhibitory checkpoint receptor that binds to its
ligand PVR in the tumor microenvironment. Anti-TIGIT monoclonal antibodies (mAbs) such …