Article

Mathematical Quantification of Binding Complementarity using Intersection Surface Area (ISA) and Geometric Sensitivity Index (GSI)

2026-05-12

Abstract excerpt

<title>Abstract</title> <p>The R292K mutation in Influenza Neuraminidase (NA) significantly hinders the efficacy of clinical inhibitors, yet the physical basis of this resistance remains under-explored. In this study, we introduce a novel computational framework integrating Molecular Dynamics (MD) simulations with a geometric Intersection Surface Area (ISA) model. Our results demonstrate that the R292K mutation i...

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Literature Corpus work: ce0c0c23-7c4b-534b-b1dc-6bc587da20a1
DOI: 10.21203/rs.3.rs-9509472/v1

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