Zobrazeno 1 - 10
of 3 513
pro vyhledávání: '"Molecular simulations"'
Autor:
Barbara Herlah, Tjaša Goričan, Nika Strašek Benedik, Simona Golič Grdadolnik, Izidor Sosič, Andrej Perdih
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 23, Iss , Pp 2995-3018 (2024)
The 4,6-substituted-1,3,5-triazin-2(1H)-ones are promising inhibitors of human DNA topoisomerase IIα. To further develop this chemical class targeting the enzyme´s ATP binding site, the triazin-2(1H)-one substitution position 6 was optimized. Inspi
Externí odkaz:
https://doaj.org/article/a2d96ff88e0843fbb8c7a452b3c05308
Autor:
Sapan K. Shah, Dinesh R. Chaple, Vijay H. Masand, Rahul D. Jawarkar, Somdatta Chaudhari, A. Abiramasundari, Magdi E. A. Zaki, Sami A. Al-Hussain
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-27 (2024)
Abstract Cardiovascular diseases, including heart failure, stroke, and hypertension, affect 608 million people worldwide and cause 32% of deaths. Combination therapy is required in 60% of patients, involving concurrent Renin–Angiotensin–Aldostero
Externí odkaz:
https://doaj.org/article/2b5f474d52824d43937c15b8396ae1cd
Publikováno v:
IUCrJ, Vol 11, Iss 2, Pp 210-223 (2024)
Evidence that the electronic structure of atoms persists in molecules to a much greater extent than has been usually admitted is presented. This is achieved by resorting to N-electron real-space descriptors instead of one- or at most two-particle pro
Externí odkaz:
https://doaj.org/article/7f29f1e0a8104f4cb66c6c303050ea60
Publikováno v:
Journal of Ionic Liquids, Vol 4, Iss 1, Pp 100089- (2024)
Ionic conductivity plays an important role towards the application of ionic liquids as electrolytes in next-generation batteries and electrochemical processes and is often estimated using the Nernst–Einstein formalism in molecular simulation-based
Externí odkaz:
https://doaj.org/article/d55522db7cd041b59484a0cd2d8516cf
Autor:
Sheema Yaqoob Khan, Mohd Ashraf Rather, Azra Shah, Ishtiyaq Ahmad, Irfan Ahmad, KawKabul Saba, Faisal Rashid Sofi
Publikováno v:
Endocrine and Metabolic Science, Vol 15, Iss , Pp 100171- (2024)
Reproductive processes in fishes are regulated by the hypothalamic-pituitary-gonadal (HPG) axis, much like in tetrapods. Within this system, Gonadotropin-Releasing Hormone (GnRH) is released by the hypothalamus, binding to GnRH receptors in the pitui
Externí odkaz:
https://doaj.org/article/fe88d6d136ce4b35ad10ffa9e8d247ff
Autor:
Kannan Mayuri, Durairaj Varalakshmi, Mayakrishnan Tharaheswari, Chaitanya Sree Somala, Selvaraj Sathya Priya, Nagaraj Bharathkumar, Renganathan Senthil, Raja Babu Singh Kushwah, Sundaram Vickram, Thirunavukarasou Anand, Konda Mani Saravanan
Publikováno v:
BioMedInformatics, Vol 4, Iss 1, Pp 347-359 (2024)
The fat mass and obesity-associated (FTO) protein catalyzes metal-dependent modifications of nucleic acids, namely the demethylation of methyl adenosine inside mRNA molecules. The FTO protein has been identified as a potential target for developing a
Externí odkaz:
https://doaj.org/article/1fcb92c114334e6b840c446bb209f15e
Autor:
Prateek Rai, Christopher J. Clark, Carl B. Womack, Curtis Dearing, Joshua Thammathong, Derek D. Norman, Gábor J. Tigyi, Subhabrata Sen, Kevin Bicker, April M. Weissmiller, Souvik Banerjee
Publikováno v:
Molecules, Vol 29, Iss 18, p 4285 (2024)
The development of drug resistance in cancer cells poses a significant challenge for treatment, with nearly 90% of cancer-related deaths attributed to it. Over 50% of ovarian cancer patients and 30–40% of breast cancer patients exhibit resistance t
Externí odkaz:
https://doaj.org/article/bf841400ad284582bba1e29114da38e0
Publikováno v:
SoftwareX, Vol 26, Iss , Pp 101716- (2024)
Several knowledge gaps on the properties and behavior of hydrogen must be closed to realize its widespread use as a clean fuel and reduction agent. A challenge in this regard is that hydrogen and its mixtures are influenced by quantum effects, in par
Externí odkaz:
https://doaj.org/article/0d29eb056b4d483d8cd81e597e602394
Autor:
Hilal Ahmad, Asif Ali, Roshan Ali, Ali Talha Khalil, Ishaq Khan, Mah Muneer Khan, Mohammed Alorini
Publikováno v:
Neoplasia: An International Journal for Oncology Research, Vol 51, Iss , Pp 100989- (2024)
Gene mutations are a source of genetic instability which fuels the progression of cancer. Mutations in BRCA1 and BRCA2 are considered as major drivers in the progression of breast cancer and their detection indispensable for devising therapeutic and
Externí odkaz:
https://doaj.org/article/cb057f86b6e04b518936e505b98f21bd
Autor:
Andrea Rassell
Publikováno v:
Arts, Vol 13, Iss 4, p 122 (2024)
The perception of time undergoes a radical shift between the human scale and the nanoscale. In an age of rapidly evolving media and scientific technologies, we need to understand how these impact human perception and visual culture. This essay explor
Externí odkaz:
https://doaj.org/article/8ce04ff47880461e93189e22dd0f99fb