تصفح حسب الموضوع "Molecular modeling"
السجلات المعروضة 1 -- 4 من 4
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Experimental and DFT/TD-DFT computational investigations of the solvent effect on the spectral properties of nitro substituted pyridino[3,4-c]coumarins
( Elsevier , 2020 , Article)The UV/Vis absorption characteristics of newly synthesized pyridino[3,4-c] coumarins in different neat solvents were investigated experimentally and computationally. It is noted that the nitro-substituted pyridocoumarins ... -
Spectral, thermal, and molecular modeling studies on the encapsulation of selected sulfonamide drugs in ?-cyclodextrin nano-cavity
( Elsevier , 2014 , Article)In the present work the inclusion complexation of three sulfonamide (SA) drugs, namely sulfisoxazole (SSX), sulfamethizole (SMZ), and Sulfamethazine (STM) with β-cyclodextrin (β-CD) has been investigated using UV–Vis ... -
Substitution impact of highly conserved arginine residue at position 75 in GJB1 gene in association with X-linked Charcot-Marie-tooth disease: A computational study.
( Elsevier , 2018 , Article)X-linked Charcot-Marie-Tooth type 1 X (CMTX1) disease is a subtype of Charcot-Marie-Tooth (CMT), which is mainly caused by mutations in the GJB1 gene. It is also known as connexin 32 (Cx32) that leads to Schwann cell ... -
Two patients with Canavan disease and structural modeling of a novel mutation.
( Springer US , 2017 , Article)Canavan disease (CD) is a rare fatal childhood neurological autosomal recessive genetic disease caused by mutations in the ASPA gene, which lead to catalytic deficiency of the ASPA enzyme, which catalyzes the hydrolysis ...