The virtual dynamic docking, carried out in the MOLBD3 lab of the Institute of Biophysics, allows the identification of new drugs through the structural information deriving from the study of target proteins, responsible for some human pathologies. In particular, we screen drugs or small molecules (commercial/own libraries) against known protein sites, surface cavities, surfaces of protein-protein interactions (fixed/rigid hotspots) or structural transition states (dynamic hotspots).
Technologies
In this section it is possible to view, also through targeted research, the technologies inserted in the PROMO-TT Database. For further information on the technologies and to contact the CNR Research Teams who developed them, it is necessary to contact the Project Manager (see the references at the bottom of each record card).
Displaying results 1 - 9 of 9
Combined use of High-Resolution Nuclear Magnetic Resonance (NMR) spectroscopy in solution and multivariate statistical analysis for the geographical differentiation of Italian and Chinese concentrated tomato paste. Particularly the metabolites content of acqueos exctrats of concentrated tomato paste is evaluated.
VisLab laboratory of IMM possesses a latest generation Raman micro-spectroscope equipped for vibrational measurements with high spatial and spectral resolution, at controlled temperature and in fast-imaging. The apparatus can be used to collect information and chemico-physical maps without the need for sample preparation and alteration, therefore for non-destructive studies and in operating conditions.
The Open Chemistry Database, OChemDb, is a web portal for the research and analysis of crystallochemical information relating to organic, inorganic, metallorganic compounds, and provides statistical information on bond distances, bond angles, torsion angles, types of atoms and space groups. To obtain the above information, OChemDb queries a database, appropriately designed, that contains crystalline structures already resolved.
Network structures that require the use of a common database are affected by the risk of processing identification data that are necessary for sharing information and updating and processing data with equal access level between the network nodes. However, this sharing could lead risks of vulnerability when identification data are exchanged between the nodes of the network. The proposed information system involves the exchange of information by encrypting the identification data with an MD5 Hashing procedure (RFC1321).
EXPO is a software for the determination of the atomic structure of various materials (organic, metallorganic, inorganic), available in the form of microcrystalline powders, in order to derive the structure-property relationships. EXPO requires the molecular formula of the material, the experimental X-ray diffraction data and, in some cases, the expected molecular geometry.
QUALX is a software for qualitative and semi-quantitative phase analysis of materials (organic, metallorganic, inorganic), available in the form of microcrystalline powders. It uses a database distributed together with the software. QUALX identifies the crystalline chemical phase, one or more of than one, present in a material and determines approximately the weight percentages of each phase present in a mixture.
uManager is a management game designed to foster the development of young students' entrepreneurial skills and abilities. The game offers the opportunity to manage a tourist village, stimulating the skills of decision making and problem-solving in a simulated scenario adhering to the real one. uManager is suitable for use in the classroom or at a distance, in formal and informal contexts.
X-ray imaging techniques can work in i) "full-field mode" in which the object to study (or part of it) is completely illuminated by the X-ray beam; ii) "scanning mode" in which an X-ray beam, focused through an opportune optics, illuminates in succession contiguous areas of the sample under examination, and the transmitted wave is measured by a detector placed at a proper distance from it. One of these X-ray scanning microscopes is available at the facility (X-ray MicroImaging, XMIL@b) of the Institute of Crystallography (CNR-Bari).