SARS-CoV-2 uses its spike protein receptor-binding domain (RBD) to interact with the angiotensin-converting enzyme 2 (ACE2) receptor on host cells. Inhibitors of the RBD-ACE2 interaction are therefore promising drug candidates…
Femtosecond X-ray pulse lasers are promising probes for elucidating the multi-conformational states of biomolecules because they enable snapshots of single biomolecules to be observed as coherent diffraction images. Multi-image processing…
Selective CO2 capture and electrochemical conversion is an important tool in the fight against climate change. Industrially, CO2 is captured using a variety of aprotic solvents due to their high…
Converting carbon dioxide (CO2) into valuable products is one of the most important processes for a sustainable society. Especially, the electrochemical CO2 reduction reaction (CO2RR) offers an effective means, but…
{Using|Utilizing|Making use of|Employing|Working with|Applying} the ab initio {multiple|numerous|several|a number of|many|various} cloning (AIMC) {method|technique|approach|strategy|system|process}, {fully|totally|completely} quantum dynamics {were|had been|have been} simulated for imidazole and its structural isomer pyrazole {along with|together with|in…
Molecular motions are ubiquitous in nature and they immutably play intrinsic roles in all actions. However, exploring appropriate models to decipher molecular motions is an extremely important but very challenging…
An unprecedented amino-group assisted C–H carboxylation of 2-arylanilines with CO2 {under|below|beneath} redox-neutral {conditions|circumstances|situations} {using|utilizing|making use of|employing|working with|applying} a Rhodium(I)-catalyst has been {developed|created}. This reaction was promoted by a phosphine ligand…
Optical imaging of changes in membrane potential of living cells can be achieved by the means of fluorescent voltage sensitive dyes (VSDs). A particularly challenging task is to efficiently deliver…
Hybrid or “extended” symmetry-adapted perturbation theory (XSAPT) replaces traditional SAPT’s treatment of dispersion with better-performing alternatives, while at the same time extending two-body (dimer) SAPT to a many-body treatment of…
Human glycans are primarily composed of nine common sugar building blocks. On the other hand, several hundred monosaccharides have been discovered in bacteria and most of them are not readily…