Insights into the Stereospecificity in Papain-Mediated Chemoenzymatic Polymerization from Quantum Mechanics/Molecular Mechanics Simulations
نویسندگان
چکیده
منابع مشابه
Insights into the effect of vanadium on chromium-vanadium Phillips catalysts for the ethylene polymerization
The chromium/vanadium bimetallic Phillips catalysts developed by our research group have been proved to be a promising process to produce bimodal polyethylene using a single-reactor process. The vanadium loading of CrV-1/1, CrV-1/2, and CrV-1/3 has a significant effect on the polymerization activity, product molecular weight (MW), as well as th...
متن کاملPutting Mechanics into Quantum Mechanics
verything moves! In a world dominated by electronic devices and instruments it is easy to forget that all measurements involve motion, whether it be the motion of electrons through a transistor, Cooper pairs or quasiparti-cles through a superconducting quantum interference device (SQUID), photons through an optical interferome-ter—or the simple displacement of a mechanical element. Nanoscience ...
متن کاملCytoskeletal mechanics of neurulation: insights obtained from computer simulations.
The morphogenetic movements associated with the process of neurulation have been the subject of much investigation during the last one hundred years. A plethora of experimental evidence has been generated regarding the forces that drive this seemingly simple process, and many theories about the mechanics of the process have been proposed. Recent computer simulations have proved useful for evalu...
متن کاملInsights into the mechanism and inhibition of fatty acid amide hydrolase from quantum mechanics/molecular mechanics (QM/MM) modelling.
FAAH (fatty acid amide hydrolase) is a promising target for the treatment of several central nervous system and peripheral disorders. Combined QM/MM (quantum mechanics/molecular mechanics) calculations have elucidated the role of its unusual catalytic triad in the hydrolysis of oleamide and oleoylmethyl ester substrates, and have identified the productive inhibitor-binding orientation for the c...
متن کاملMechanistic insights into polar monomer insertion polymerization from acrylamides.
N-Isopropyl acrylamide (NIPAM), N,N-dimethyl acrylamide (DMAA), and 2-acetamidoethyl acrylate (AcAMEA) were copolymerized with ethylene employing [(P^O)PdMe(DMSO)] (1-DMSO; P^O = κ(2)-P,O-Ar(2)PC(6)H(4)SO(2)O with Ar = 2-MeOC(6)H(4)) as a catalyst precursor. Inhibition studies with nonpolymerizable polar additives show that reversible κ-O-coordination of free amide retards polymerization signif...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: ACS Chemical Biology
سال: 2019
ISSN: 1554-8929,1554-8937
DOI: 10.1021/acschembio.9b00259