The behavior of proteins is closely related to the protonation states of the residues. Therefore, prediction and measurement of pKa are essential to understand the basic functions of proteins. In…
Application of data science and machine learning (ML) techniques in the domain of materials science has been increasing by leaps and bounds recently. With the help of ML, through input…
Herein we {perform|carry out|execute} a seven-step chemical synthesis of aDNA-encoded macrocycle library (DEML) on DNA. Inspired bypolyketide and mixed peptide-polyketide {natural|all-natural|organic} {products|goods|items|merchandise|solutions}, the librarywas {designed|developed|created|made} to incorporate {rich|wealthy} backbone diversity.…
While QM/MM studies of enzymatic reactions are widely used in computational chemistry, the results of such studies are subject to numerous sources of uncertainty, and the effect of different choices…
The thionolactone 3,3-dimethyl-2,3-dihydro-5H-benzodioxepine-5-thione (DBT) is shown to homopolymerize and, for the first time, copolymerize with styrene and methacrylates, introducing degradable thioester backbone functionality. The rapid copolymerization with styrene was exploited…