Enhancing a <i>de novo</i> enzyme activity by computationally-focused ultra-low-throughput screening
Valeria A. Risso, Adrian Romero‐Rivera, Luis I. Gutierrez-Rus, Mariano Ortega‐Muñoz, Francisco Santoyo‐González, Jose A. Gavira, José M. Sánchez‐Ruiz, Shina Caroline Lynn Kamerlin
Abstract
and indicate that the enhanced activity is linked to better geometric preorganization of the active site. This raises the possibility of further enhancing the stability-guidance of FuncLib by computational predictions of catalytic activity, as a generalized approach for computational enzyme design.
Topics & Concepts
ThroughputHigh-throughput screeningComputational biologyComputer scienceChemistryBiologyBiochemistryTelecommunicationsWirelessMetabolomics and Mass Spectrometry StudiesEnzyme Structure and FunctionMetabolism and Genetic Disorders