Interfacial Water Many-Body Effects Drive Structural Dynamics and Allosteric Interactions in SARS-CoV-2 Main Protease Dimerization Interface
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Solid-liquid interfaces play a fundamental role in surface electrochemistry(1), catalysis(2), wetting(3), self-assembly(4) and biomolecular functions(5). The interfacial energy determines many of the properties of such interfaces, including the arrangement ...
The Automatic Content Linking Device (ACLD) is a just-in-time multimedia retrieval system that monitors and supports the conversation among a small group of people within a meeting. The ACLD retrieves from a repository, at regular intervals, information th ...
Ultrasound imaging allows the evaluation of the degree of emergency of a patient. However, in many situations no experienced sonographer is available to perform such echography. To cope with this issue, the OTELO project “mObile Tele-Echography using an ul ...
The AMIDA Automatic Content Linking Device (ACLD) is a just-in-time document retrieval system for meeting environments. The ACLD listens to a meeting and displays information about the documents from the group’s history that are most relevant to what is be ...
We report here a measurement of electric dipole moments in highly vibrationally excited HDO molecules. We use photofragment yield detected quantum beat spectroscopy to determine electric field induced splittings of the J=1 rotational levels of HDO excited ...
We carried out an ab initio molecular dynamics simulation of liquid hydrogen. chloride (l-HCl) at a temperature of 313 K. Comparison with inelastic neutron scattering data shows that the simulation achieves an overall good description of the structural cor ...
A model interface between Si and disordered SiO2 is obtained which incorporates the interface bonding pattern previously generated by first-principles molecular dynamics. The model is then characterized by comparing its properties with experimental data wh ...
The assisted transfer of silver ion, Ag+, by complexation of Ag+ with the tetrakis(4-chlorophenyl)borate (TPBCl−) anion was studied at the interface between two immiscible electrolyte solutions (ITIES). The elucidation of the interfacial mechanisms employe ...
Using a first-principles approach, we study the incorporation of nitrogen at the Si(001)-SiO2 interface by calculating N Is core-level shifts for several relaxed interface models. The unusually large shift with oxide thickness of the principal peak in phot ...
