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Download CAVER Analyst

Download CAVER Analyst 2.0 visualization protein structures software

May 2, 2022    
Chemist    

CAVER Analyst software free download tool for analysis and visualization of tunnels and channels in protein structures in computational chemistry and biochemistry. Tunnels are void pathways leading from a cavity buried in a protein core to the surrounding solvent. Unlike tunnels, channels lead through the protein structure and their both endings are opened to the surrounding solvent. Studying of these pathways is highly important for drug design and molecular enzymology.

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Protonating Tricarboxybenzenes

Protonating Tricarboxybenzenes

May 1, 2022    
Chemist    

Tricarboxybenzenes were (tri-)protonated, resulting in the formation of astonishingly stable species. The different isomers are stabilized by mesomerism and hyperconjugation depending on the substitution pattern. These effects are observable by X-ray diffraction and NMR spectroscopy and also computable by NPA and NICS calculations, enabling qualitative and quantitative statements.

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Tunable metal hydroxide–organic frameworks

Tunable metal hydroxide–organic frameworks

April 19, 2022    
Chemist    

Tunable metal hydroxide–organic frameworks for catalysing oxygen evolution. Now MIT researchers have developed a completely new type of catalyst material called the Metal-Organic Hydroxide Framework (MHOF), which is made up of inexpensive and abundant components. and The oxygen evolution reaction is central to making chemicals and energy carriers using electrons.

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