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Article

Quantifying Mutational Response to Track the Evolution of SARS-CoV-2 Spike Variants: Introducing a Statistical-Mechanics-Guided Machine Learning Method.

The journal of physical chemistry. B - 13 Oct 2022

Sangeet Satyam, Sarkar Raju, Mohanty Saswat K, Roy Susmita

Abstract excerpt

The emergence of SARS-CoV-2 and its variants that critically affect global public health requires characterization of mutations and their evolutionary pattern from specific Variants of Interest (VOIs) to Variants of Concern (VOCs). Leveraging the concept of equilibrium statistical mechanics, we introduce a new responsive quantity defined as "Mutational Response Function (MRF)" aptly quantifying domain-wise...

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PMID: 36178371
DOI: 10.1021/acs.jpcb.2c04574

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