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How Do Small Differences in Geometries Affect Electrostatic Potentials of High-Energy Molecules? Critical News from Critical Points
(MDPI, 2022)
The computational design of explosives is becoming very popular since it represents a safe and environmentally friendly way of predicting the properties of these molecules. It is known that positive values of electrostatic ...
How aromatic system size affects the sensitivities of highly energetic molecules?
(Royal Society of Chemistry, 2021)
Positive values of electrostatic potentials above the central regions of the molecular surface are strongly related to the high sensitivities of highly energetic molecules. The influence of aromatic system size on the ...
Identification of SARS-CoV-2 Papain-like Protease (PLpro) Inhibitors Using Combined Computational Approach
(Wiley-VCH, 2022)
In the currentpandemic,findingan effectivedrugto preventortreatthe infectionis the highestpriority.A rapidand safeapproachto counteractCOVID-19is in silicodrugrepurposing.The SARS-CoV-2PLpropromotesviral replicationand ...
Chelate coordination compounds as a new class of high-energy materials: The case of nitro-bis(acetylacetonato) complexes
(MDPI, 2021)
The existence of areas of strongly positive electrostatic potential in the central regions of the molecular surface of high-energy molecules is a strong indicator that these compounds are very sensitive towards detonation. ...
Expression, purification and immunological characterization of recombinant nucleocapsid protein fragment from SARS-CoV-2
(Elsevier, 2021)
Serological testing is important method for diagnosis of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection. Nucleocapsid (N) protein is the most abundant virus derived protein and strong immunogen. We ...
Expression, purification and immunological characterization of recombinant nucleocapsid protein fragment from SARS-CoV-2
(Elsevier, 2021)
Serological testing is important method for diagnosis of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection. Nucleocapsid (N) protein is the most abundant virus derived protein and strong immunogen. We ...