Unveiling mutation effects on the structural dynamics of the main protease from SARS-CoV-2 with hybrid simulation methods
P. Gasparini(Universidade Federal do ABC), Ana Lígia Scott(University of Pittsburgh), N.E.S.M. Torres-Bonfim(Universidade Federal do ABC), David Pérahia(École Normale Supérieure Paris-Saclay), Eric Allison Philot(Universidade Federal do ABC), Simone Queiroz Pantaleão(Universidade Federal do ABC), A. Kliousoff(Universidade Federal do ABC), Rafael Plana Simões(Universidade Estadual Paulista (Unesp)), R.C.N. Quiroz(Universidade Federal do ABC), Ângelo J. Magro(Universidade Estadual Paulista (Unesp))
Cited by 8
Related Papers
Evaluation of the configurational entropy for proteins: application to molecular dynamics simulations of an α-helix
|Macromolecules|1984|248
Internal and interfacial dielectric properties of cytochrome c from molecular dynamics in aqueous solution.
|Proceedings of the National Academy of Sciences|1995|213
Prescribing patterns of antidepressants in Europe: Results from the Factors Influencing Depression Endpoints Research (FINDER) study
|European Psychiatry|2008|186
Interdomain motion in liver alcohol dehydrogenase. Structural and energetic analysis of the hinge bending mode.
|Journal of Biological Chemistry|1986|159
Molecular dynamics of an α-helical polypeptide: Temperature dependence and deviation from harmonic behavior
|Proceedings of the National Academy of Sciences|1982|131