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Description of potentially ordered liquid phases through statistical thermodynamics tools. Molecular field and computer similation approache:comparing two techniques.
(2019-06-14)
Il campo di ricerca in cui il Progetto si colloca è quello dello studio termodinamico
statistico di sistemi uidi complessi, potenzialmente ordinati. Esso ha preso spunto
dalle precedenti ricerche svolte presso il ...
Theoretical investigation of bioinorganic compounds: biomimetic catalysts and metal-mediated mismatched DNA base-Pairs
(2015-12-11)
Una delle principali sfide nel mondo scientifico è superare la linea di confine tra la
natura e il mondo inanimato. La Chimica Biomimetica e la Biologia Sintetica
collaborano al raggiungimento di questo obiettivo.
Lo ...
Study of Enzymatic Mechanisms Using Density Functional Theory and QM/MM Methods
(2015-12-11)
Il lavoro presentato in questa tesi riguarda il meccanismo catalitico di tre enzimi naturali e di un biomimetico. All'inizio del documento è riportata una breve introduzione sul ruolo svolto in natura dalle proteine ...
Advanced mass spectrometry-based strategies for the isolation and characterization of G protein-coupled estrogen receptor 1(GPR)
(2014-11-28)
Estrogen signaling plays a vital role in breast, ovarian and endometrial cancers.
The actions of estrogen are mainly mediated by classical estrogen receptors, ERα and
ERβ that belongs to the nuclear receptor superfamily. ...
Advanced mass spectrometric approaches for the determination of food quality and development of new methodologies for enrichment of nutraceuticals in functional foods
(2018-02-27)
The research works presented in this Ph.D. thesis are based on the nutraceuticals and functional foods research.
The first part of the thesis deals with three main topics:
1. Structural characterization of new HMG-flavonoids ...
Different medicinal chemistry approaches towards the identification of novel targets in breast cancer
(2013-12-02)
G protein-coupled receptors (GPCRs) belong to the largest family of cellsurface
molecules representing the targets of approximately 40% of
current medicinal drugs (Overington, J.P et al 2006). GPCRs are
ubiquitous in ...