Computational methods to rationalize experimental strategies in biocatalysis.
Computational methods are more and more widely applied in biocatalysis to gain rational guidelines, to orient experimental planning and, ultimately, to avoid expensive and time-consuming experiments. In this respect, molecular modelling, multivariate statistical analysis and chemometrics in general are useful computational tools, although they follow completely different investigative approaches.
Braiuca
Paolo
P
Laboratory of Applied and Computational Biocatalysis, Dipartimento di Scienze Farmaceutiche, Università degli Studi, Piazzale Europa 1, 34127 Trieste, Italy.
Ebert
Cynthia
C
Basso
Alessandra
A
Linda
Paolo
P
Gardossi
Lucia
L
D001709:Biotechnology; D002384:Catalysis; D019295:Computational Biology / Q000379:methods*; D004798:Enzymes / Q000737:chemistry*; D008954:Models, Biological; D008958:Models, Molecular; D015999:Multivariate Analysis; D025341:Principal Component Analysis / Q000379:methods; D021281:Quantitative Structure-Activity Relationship; D013379:Substrate Specificity
D004798:Enzymes