TY  - JOUR 
AU  - Risso, Valeria Alejandra
AU  - Gutiérrez Rus, Luis Ignacio
AU  - Ortega Muñoz, Mariano
AU  - Santoyo González, Francisco
AU  - Gavira Gallardo, José Antonio
AU  - Sánchez Ruiz, José Manuel
PY  - 2020
UR  - http://hdl.handle.net/10481/64102
AB  - Directed evolution has revolutionized protein engineering. Still, enzyme optimization by random library
screening remains sluggish, in large part due to futile probing of mutations that are catalytically neutral
and/or impair stability and folding....
LA  - eng
PB  - Royal Society Chemistry
KW  - Molecular dynamics
KW  - Directed evolution
KW  - Kemp elimination
KW  - Efficient catalysis
KW  - Potential Functions
KW  - Force field
KW  - Free energy
KW  - Design
KW  - Proteins
KW  - Optimization
TI  - Enhancing a de novo enzyme activity by computationally-focused ultra-low-throughput screening
DO  - 10.1039/d0sc01935f
ER  -