Search results for "Libraries"

Catalogue of Adam Smith's Library

1894

"Edited with an introduction by James Bonar"

Targeting SARS-CoV-2 RBD Interface: a Supervised Computational Data-Driven Approach to Identify Potential Modulators

2020

Coronavirus disease 2019 (COVID-19) has spread out as a pandemic threat affecting over 2 million people. The infectious process initiates via binding of SARS-CoV-2 Spike (S) glycoprotein to host angiotensin-converting enzyme 2 (ACE2). The interaction is mediated by the receptor-binding domain (RBD) of S glycoprotein, promoting host receptor recognition and binding to ACE2 peptidase domain (PD), thus representing a promising target for therapeutic intervention. Herein, we present a computational study aimed at identifying small molecules potentially able to target RBD. Although targeting PPI remains a challenge in drug discovery, our investigation highlights that interaction between SARS-CoV…

2013

Protein kinases constitute an attractive family of enzyme targets with high relevance to cell and disease biology. Small molecule inhibitors are powerful tools to dissect and elucidate the function of kinases in chemical biology research and to serve as potential starting points for drug discovery. However, the discovery and development of novel inhibitors remains challenging. Here, we describe a structure-based de novo design approach that generates novel, hinge-binding fragments that are synthetically feasible and can be elaborated to small molecule libraries. Starting from commercially available compounds, core fragments were extracted, filtered for pharmacophoric properties compatible w…

According to the CPLL proteome sheriffs, not all aperitifs are created equal!

2014

Combinatorial peptide ligand libraries (CPLLs) have been adopted for investigating the proteome of a popular aperitif in Northern Italy, called "Amaro Branzi", stated to be an infusion of a secret herbal mixture, of which some ingredients are declared on the label, namely Angelica officinalis, Gentiana lutea and orange peel, sweetened by a final addition of honey. In order to assess the genuineness of this commercial liqueur, we have prepared extracts of the three vegetable ingredients, assessed their proteomes, and compared them to the one found in the aperitif. The amaro's proteome was identified via prior capture with CPLLs at two different pH values (2.2 and 4.8). Via mass spectrometry …

Deformed quons and bi-coherent states

2017

We discuss how a q-mutation relation can be deformed replacing a pair of conjugate operators with two other and unrelated operators, as it is done in the construction of pseudo-fermions, pseudo-bosons and truncated pseudo-bosons. This deformation involves interesting mathematical problems and suggests possible applications to pseudo-hermitian quantum mechanics. We construct bi-coherent states associated to $\D$-pseudo-quons, and we show that they share many of their properties with ordinary coherent states. In particular, we find conditions for these states to exist, to be eigenstates of suitable annihilation operators and to give rise to a resolution of the identity. Two examples are discu…

Hamiltonians Generated by Parseval Frames

2021

AbstractIt is known that self-adjoint Hamiltonians with purely discrete eigenvalues can be written as (infinite) linear combination of mutually orthogonal projectors with eigenvalues as coefficients of the expansion. The projectors are defined by the eigenvectors of the Hamiltonians. In some recent papers, this expansion has been extended to the case in which these eigenvectors form a Riesz basis or, more recently, a ${\mathcal{D}}$ D -quasi basis (Bagarello and Bellomonte in J. Phys. A 50:145203, 2017, Bagarello et al. in J. Math. Phys. 59:033506, 2018), rather than an orthonormal basis. Here we discuss what can be done when these sets are replaced by Parseval frames. This interest is moti…

Decoupling on the Wiener Space, Related Besov Spaces, and Applications to BSDEs

2021

We introduce a decoupling method on the Wiener space to define a wide class of anisotropic Besov spaces. The decoupling method is based on a general distributional approach and not restricted to the Wiener space. The class of Besov spaces we introduce contains the traditional isotropic Besov spaces obtained by the real interpolation method, but also new spaces that are designed to investigate backwards stochastic differential equations (BSDEs). As examples we discuss the Besov regularity (in the sense of our spaces) of forward diffusions and local times. It is shown that among our newly introduced Besov spaces there are spaces that characterize quantitative properties of directional derivat…

"Figure 5-3" of "Transverse momentum dependence of meson suppression in Au+Au collisions at sqrt(s_NN) = 200 GeV"

2021

Slope ${\eta}$ $R_{AA}$ ($5

Evolution of the $B$-Meson Light-Cone Distribution Amplitude in Laplace Space

2020

The $B$-meson light-cone distribution amplitude is a central quantity governing non-perturbative hadronic dynamics in exclusive $B$ decays. We show that the information needed to describe such processes at leading power in $\Lambda_{\rm QCD}/m_b$ is most directly contained in its Laplace transform $\tilde\phi_+(\eta)$. We derive the renormalization-group (RG) equation satisfied by this function and present its exact solution. We express the RG-improved QCD factorization theorem for the decay $B^-\to\gamma\ell^-\bar\nu$ in terms of $\tilde\phi_+(\eta)$ and show that it is explicitly independent of the factorization scale. We propose an unbiased parameterization of $\tilde\phi_+(\eta)$ in ter…

Improving the kinetic couplings in lattice nonrelativistic QCD

2019

We improve the non-relativistic QCD (NRQCD) action by comparing the dispersion relation to that of the continuum through $\mathcal{O}(p^6)$ in perturbation theory. The one-loop matching coefficients of the $\mathcal{O}(p^4)$ kinetic operators are determined, as well as the scale at which to evaluate $\alpha_s$ in the $V$-scheme for each quantity. We utilise automated lattice perturbation theory using twisted boundary conditions as an infrared regulator. The one-loop radiative corrections to the mass renormalisation, zero-point energy and overall energy-shift of an NRQCD $b$-quark are also found. We also explore how a Fat$3$-smeared NRQCD action and changes of the stability parameter $n$ aff…