Zobrazeno 1 - 10
of 247
pro vyhledávání: '"interaction fingerprints"'
Autor:
Ahad Amer Alsaiari, Fawaz M. Almufarriji, Ali Hazazi, Daniyah A. Almarghalani, Maha Mahfouz Bakhuraysah, Amani A. Alrehaili, Shatha M. Algethami, Khulood A. Almehmadi, Fayez Saeed Bahwerth, Mohammed Ageeli Hakami
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-19 (2024)
Abstract Cervical cancer begins in the cells lining the cervix and is caused by persistent infection with certain types of human papillomavirus (HPV). Initially, it has no symptoms, and later it causes pelvic pain, abnormal vaginal bleeding, and pain
Externí odkaz:
https://doaj.org/article/5ef780b016ee417d8d24fab0b4429d1f
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-15 (2024)
Abstract Computational methods such as molecular docking or molecular dynamics (MD) simulations have been developed to simulate and explore the interactions between biomolecules. However, the interactions obtained using these methods are difficult to
Externí odkaz:
https://doaj.org/article/2192f75f2a5b4989ae5123a755c1f0c3
Publikováno v:
Frontiers in Molecular Biosciences, Vol 10 (2023)
Ribonucleic acids are gradually becoming relevant players among putative drug targets, thanks to the increasing amount of structural data exploitable for the rational design of selective and potent binders that can modulate their activity. Mainly, th
Externí odkaz:
https://doaj.org/article/f0921784c54d4e8c9ef991254c99200c
Autor:
Mohammed Ageeli Hakami, Ali Hazazi, Fawaz Albloui, Amal F. Gharib, Fouzeyyah Ali Alsaeedi, Osama Abdulaziz, Abdulfattah Y. Alhazmi, Ahad Amer Alsaiari
Publikováno v:
International Journal of Molecular Sciences, Vol 25, Iss 1, p 592 (2024)
Lung cancer is a pervasive and challenging disease with limited treatment options, with global health challenges often present with complex molecular profiles necessitating the exploration of innovative therapeutic strategies. Single-target drugs hav
Externí odkaz:
https://doaj.org/article/7f3bd8ba3e5f4cc8a028b667126765d6
Publikováno v:
Biomolecules, Vol 14, Iss 1, p 72 (2024)
Molecular recognition is fundamental in biology, underpinning intricate processes through specific protein–ligand interactions. This understanding is pivotal in drug discovery, yet traditional experimental methods face limitations in exploring the
Externí odkaz:
https://doaj.org/article/bd65eaeb51bc4c1db555d6283325e56e
Akademický článek
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Akademický článek
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Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-8 (2021)
Abstract Depicting a ligand-receptor complex via Interaction Fingerprints has been shown to be both a viable data visualization and an analysis tool. The spectrum of its applications ranges from simple visualization of the binding site through analys
Externí odkaz:
https://doaj.org/article/b9e01b0333ff4fe3b62f6ff41fd5c169
Akademický článek
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Autor:
Hanna Baltrukevich, Sabina Podlewska
Publikováno v:
Frontiers in Pharmacology, Vol 13 (2022)
An increasing number of crystal structures available on one side, and the boost of computational power available for computer-aided drug design tasks on the other, have caused that the structure-based drug design tools are intensively used in the dru
Externí odkaz:
https://doaj.org/article/236943a9fa784c808922900c4b35c122