Open AccessExploring effects of temperature on the catalytic site of non-structural protease 2 (nsP2) from Chikungunya virus by using molecular dynamics simulations and DFT calculations
Author(s) -
Edeildo Ferreira da Silva-Júnior
Publication year - 2021
Publication title -
proceedings of 7th international electronic conference on medicinal chemistry
Language(s) - English
Resource type - Conference proceedings
DOI - 10.3390/ecmc2021-11472
Subject(s) - chikungunya , moiety , nucleophile , catalytic triad , catalysis , chemistry , active site , computational chemistry , stereochemistry , virology , virus , biology , biochemistry