Molecular basis of P450 OleTJE: an investigation of substrate binding mechanism and major pathways

2017/03/25 by Juan Du, Lin Liu, Li Guo +5 · 1 citation
Chemistry · Computer Science · Pharmacology, Toxicology and Pharmaceutics · #Analytical Chemistry and Chromatography #Computational Drug Discovery Methods #Pharmacogenetics and Drug Metabolism

paper · doi:10.1007/s10822-017-0013-x

openalex publication_date 2017/03/25 · openalex created_date 2017/04/07 · openalex updated_date 2026/07/27

Citations

• Calculating Structures and Free Energies of Complex Molecules:  Combining Molecular Mechanics and Continuum Models
• A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model
• Development and testing of a general amber force field

Cited by

• Simultaneous production of linear α-olefins and 2,5-furandicarboxylic acid by combining two recombinant enzymes OleT-ELP and HMFO-ELP