Advancing Enzyme's Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning

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Authors: KUNKA, Antonín, Sérgio Manuel MARQUES, Martin HAVLÁSEK, Michal VAŠINA, Nikola VELÁTOVÁ, Lucia CENGELOVÁ, David KOVÁŘ, Jiří DAMBORSKÝ, Martin MAREK, David BEDNÁŘ and Zbyněk PROKOP

Journal title: ACS Catalysis

Journal publisher: American Chemical Society

Published year: 2023

DOI identifier: 10.1021/acscatal.3c02575

ISSN: 2155-5435