期刊： JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023; 124 ()
Kaposi sarcoma (KS) is one of the most common AIDS-related malignant neoplasms, which can leave lesions on the skin among HIV patients. These lesions ......
期刊： JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023; 118 ()
Novel solvents and their applications are experiencing an increasing interest by the scientific community. Imidazole has been utilized as a major comp......
期刊： JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023; 123 ()
Alzheimer's disease is associated with accumulating different amyloid peptides on the nerve cell membranes. The non-thermal effects of the GHz electri......
期刊： JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023; 125 ()
Interactive molecular dynamics simulation in virtual reality (iMD-VR) is emerging as a promising technique in molecular science. Here, we demonstrate ......
期刊： JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023; 118 ()
Keratinocyte growth factor (KGF) is a potential therapeutic factor in wound healing. However, its applications have been restricted due to its low sta......
期刊： JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023; 124 ()
Protein oxidative modifications with reactive carbonyl species (RCS) is directly linked to metabolic processes in premature aging, cancer, neurodegene......
期刊： JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023; 122 ()
Ongoing global pandemic caused by coronavirus (COVID-19) requires urgent development of vaccines, treat-ments, and diagnostic tools. Open reading fram......
期刊： JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023; 124 ()
The quest in finding an everlasting panacea to the pernicious impact of sickle cell disease (SCD) in the society hit a turn of success since the recen......
期刊： JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023; 125 ()
Human thymidylate synthase (hTS) is a validated drug target for chemotherapy. A virtual screening experiment was used to prioritize a list of compound......
期刊： JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023; 118 ()
A drug repositioning computational approach was carried to search inhibitors for human thymidylate synthase. An ensemble-based virtual screening of FD......
期刊： JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023; 119 ()
The exploration of chemical systems occurs on complex energy landscapes. Comprehensively sampling rugged energy landscapes with many local minima is a......
期刊： JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023; 122 ()
Kirsten rat sarcoma virus G12C (KRAS(G12C)) is the major protein mutation associated with non-small cell lung cancer (NSCLC) severity. Inhibiting KRAS......
期刊： JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023; 122 ()
The present study investigates the competition between hydrogen, halogen, and tetrel bonds from the interaction of COCl2 with HOX using quantum chemis......
期刊： JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023; 122 ()
Organic solar cells (OSCs) are capturing huge interest because of their numerous benefits, which include transparency, flexibility, and solution proce......
期刊： JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023; 122 ()
This study focuses on the creation of 5 small donor molecules (A102W1-A102W5) by substituting the one-sided methoxy group of model (A102R) with differ......
