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Jürgen Pleiss (1723024)
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Molecular Mechanism of Methanol Inhibition in CALB-Catalyzed Alcoholysis: Analyzing Molecular Dynamics Simulations by a Markov State Model
by
Henrique F. Carvalho (11408021)
,
Valerio Ferrario (651292)
,
Jürgen
Pleiss
(
1723024
)
Published 2021
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Related Subjects
300 mm
50 mm
Biochemistry
Biological Sciences not elsewhere classified
Biophysics
Biotechnology
Chemical Sciences not elsewhere classified
Genetics
Inorganic Chemistry
Molecular Biology
Pharmacology
active site
beyond 300 mm
catalyze hydrolysis
derive kinetic information
experimental activity profile
fatty acid esters
findings demonstrate
good agreement
gradual formation
helix α10
high concentrations
kinetic bottleneck results
many lipases
markov state models
methanol patches close
modeled fluxes
molecular basis
molecular mechanism
msm analysis
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