Development of Nonbonded Dummy Models for Mn2+ and Mg2+ Against a Series of Water Models. (In preparation)
Author(s):
Qinghua Liao and Carme Rovira
Published in:
Journal of Chemical Information and Modeling, 2025, ISSN 1549-960X
Publisher:
ACS Publications
The Molecular Mechanism of the First Initialization Step of Glycogen Biosynthesis and the effects from R77A and T83M uncovered by QM/MM simulations
Author(s):
Qinghua Liao and Carme Rovira
Published in:
ACS Catalysis, 2025, ISSN 2155-5435
Publisher:
American Chemical Society
Effects of R77A and T83M on substrate recognition and conformational dynamics of human glycogenin (in preparation)
Author(s):
Qinghua Liao and Carme Rovira
Published in:
Journal of Chemical Information and Modeling, 2025, ISSN 1549-960X
Publisher:
ACS Publications