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Updated: Aug 18, 2026

Implementation of In Vitro Drug Resistance Assays: Maximizing the Potential for Uncovering Clinically Relevant Resistance Mechanisms
Published on: December 9, 2015
Computer prediction of drug resistance mutations in proteins
Zhi Wei Cao1, Lian Yi Han, Chan Juan Zheng
1Bioinformatics and Drug Design Group, Department of Computational Science, National University of Singapore, BLK SOC 1, level 7, Singapore 117543.
Abstract:
Drug resistance is of increasing concern in the treatment of infectious diseases and cancer. Mutation in drug-interacting disease proteins is one of the primary causes for resistance particularly against anti-infectious drugs. Prediction of resistance mutations in these proteins is valuable both for the molecular dissection of drug resistance mechanisms and for predicting features that guide the design of new agents to counter resistant strains. Several protein structure- and sequence-based computer methods have been explored for mechanistic study and prediction of resistance mutations. These methods and their usefulness are reviewed here.
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