Results 261 to 270 of about 390,444 (399)

Discovery of a Phenylalanine‐derived Natural Compound as a Potential Dual Inhibitor of MDM2 and MDMX

open access: yesChemMedChem, Accepted Article.
Dual inhibition of the negative p53 regulators MDM2 and MDMX has emerged as an effective strategy in p53‐based anticancer therapy. However, dual inhibitors are limited, and many inhibitors exhibit poor pharmacokinetic properties and fast dissociation kinetics.
JA YOUNG CHO   +5 more
wiley   +1 more source

Vibrational Partition Functions from Bond Order and Populations Relationships

open access: yesChemPhysChem, EarlyView.
A new computational model is presented that predicts vibrational partition functions using bond orders and populations relationships (QBOP). This model demonstrates that thermochemical energy contributions can be reasonably approximated based on well‐conditioned orbital populations without the need for a costly Hessian calculation.
Barbaro Zulueta, John A. Keith
wiley   +1 more source

Biosynthesis of the allylphenols eugenol and methyleugenol in Ocymum basilicum L [PDF]

open access: yes, 1975
Klischies, Martina   +2 more
core   +1 more source

KnowVolution of an Efficient Polyamidase through Molecular Dynamics Simulations of Incrementally Docked Oligomeric Substrates

open access: yesChemSusChem, EarlyView.
Managing synthetic polymer waste is a major challenge. While enzymatic polyamide (PA) hydrolysis holds great recycling potential, it is limited by ineffective polyamidases. The polyamidase NylCp2‐TS is evolved through random mutagenesis and incremental docking, yielding NylC‐HP with enhanced activity and stability.
Hendrik Puetz   +6 more
wiley   +1 more source

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