نتایج جستجو برای: tripeptides
تعداد نتایج: 564 فیلتر نتایج به سال:
A small family of structural analogues of the antimitotic tripeptides, hemiasterlins, have been designed and synthesized as potential inhibitors of tubulin polymerization. The effectiveness of a multicomponent approach was fully demonstrated by applying complementary versions of the isocyanide-based Ugi reaction. Compounds strictly related to the lead natural products, as well as more extensive...
In this report, we present an unsupervised machine learning method for determining groups of molecular systems according to similarity in their dynamics or structures using Ward’s minimum variance objective function. We first apply the minimum variance clustering to a set of simulated tripeptides using the information theoretic Jensen-Shannon divergence between Markovian transition matrices in ...
Temperature accelerated sliced sampling (TASS) is an efficient method to compute high dimensional free energy landscapes. The original TASS employs the weighted histogram analysis (WHAM) which iterative post-processing reweight and stitch probability distributions in windows that are obtained presence of restraining biases. WHAM necessitates lie close each other for proper overlap span collecti...
The removal of Diclofenac sodium from waste waters has a high relevance since it belongs to the therapeutic group most commonly found in wastes. An aromatic-free and low-impact technology that efficiently entraps aqueous pollutants is highly desirable. We synthesised two Boc-protected tripeptides (Boc-L-Ala-Aib-L-Val-OH Boc-L-Val-Aib-L-Val-OH) studied their ability form gels with mixtures water...
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