New Smart Optimal Transition Molecules Structure Approach from Discrete to Continuous Based on Three-Dimensional Analysis Method
摘要
To understand the relationship between a molecule’s function and its three-dimensional structure, researchers have been studying the evolution and mutations of the SARS-CoV-2 virus. This research focuses on identifying interaction areas between the viral spike and human cell receptors for developing treatments. In this work, a novel approach based on shape alignment and residue interaction region identification is proposed. Experimental studies using dynamic programming and Cubic Spline polynomial interpolation show promising results, making the approach highly effective.