Zobrazeno 1 - 10
of 27
pro vyhledávání: '"Natarajan Arul Murugan"'
Autor:
Natarajan Arul Murugan, Artur Podobas, Davide Gadioli, Emanuele Vitali, Gianluca Palermo, Stefano Markidis
Publikováno v:
Pharmaceuticals, Vol 15, Iss 1, p 63 (2022)
Drug discovery is the most expensive, time-demanding, and challenging project in biopharmaceutical companies which aims at the identification and optimization of lead compounds from large-sized chemical libraries. The lead compounds should have high-
Externí odkaz:
https://doaj.org/article/7a921a0fa8b44990b1fb8ec666752ebf
Autor:
Joanna Bednarska, Robert Zaleśny, Guangjun Tian, Natarajan Arul Murugan, Hans Ågren, Wojciech Bartkowiak
Publikováno v:
Molecules, Vol 22, Iss 10, p 1643 (2017)
We have examined several approaches relying on the Polarizable Embedding (PE) scheme to predict optical band shapes for two chalcone molecules in methanol solution. The PE-TDDFT and PERI-CC2 methods were combined with molecular dynamics simulations,
Externí odkaz:
https://doaj.org/article/ed6fe81bf014413d964d0f42cad31f9f
Autor:
Sanjay Kumar Mohanty, Aayushi Mittal, Aakash Gaur, Saveena Solanki, Suvendu Kumar, Subhadeep Duari, Sakshi Arora, Vishakha Gautam, Nilesh Kumar Dixit, Tarini Shankar Ghosh, Debarka Sengupta, Shashi Kumar Gupta, Natarajan Arul Murugan, Gaurav Ahuja
Traditionally, the exogenous allosteric modulators of G protein-coupled receptors (GPCRs) have been extensively investigated due to their pharmacological significance. However, to date, only a handful of endogenous intracellular allosteric modulators
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b7e157fcfea67ef6549606b1c6410fa6
https://doi.org/10.21203/rs.3.rs-2611000/v1
https://doi.org/10.21203/rs.3.rs-2611000/v1
Publikováno v:
Materials Advances. 3:4069-4087
The paradigm of advanced materials has grown exponentially over the last decade, with their new dimensions including digital design, dynamics, and functions.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b10e18202b9ba098d2d45446f64a3010
https://doi.org/10.1039/d2ma00067a
https://doi.org/10.1039/d2ma00067a
Publikováno v:
Parallel Processing and Applied Mathematics ISBN: 9783031304415
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::49a73d8b07d5f0e67ea074e98e6ebfe7
https://doi.org/10.1007/978-3-031-30442-2_25
https://doi.org/10.1007/978-3-031-30442-2_25
Autor:
Vishakha Gautam, Rahul Gupta, Deepti Gupta, Anubhav Ruhela, Aayushi Mittal, Sanjay Kumar Mohanty, Sakshi Arora, Ria Gupta, Chandan Saini, Debarka Sengupta, Natarajan Arul Murugan, Gaurav Ahuja
Publikováno v:
Briefings in bioinformatics. 23(5)
Artificial intelligence (AI)-based computational techniques allow rapid exploration of the chemical space. However, representation of the compounds into computational-compatible and detailed features is one of the crucial steps for quantitative struc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1798020552fbc0dee6f8a7e6f2e316d1
https://pubmed.ncbi.nlm.nih.gov/35868454
https://pubmed.ncbi.nlm.nih.gov/35868454
Publikováno v:
International Journal of Molecular Sciences; Volume 23; Issue 6; Pages: 3409
The new variant of severe acute respiratory syndrome coronavirus type 2 (SARS-CoV-2), Omicron, has been quickly spreading in many countries worldwide. Compared to the original virus, Omicron is characterized by several mutations in its genomic region
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::35f37355bd3d5b51a6c973cc4166b53c
Autor:
Markidis, Natarajan Arul Murugan, Artur Podobas, Davide Gadioli, Emanuele Vitali, Gianluca Palermo, Stefano
Publikováno v:
Pharmaceuticals; Volume 15; Issue 1; Pages: 63
Drug discovery is the most expensive, time-demanding, and challenging project in biopharmaceutical companies which aims at the identification and optimization of lead compounds from large-sized chemical libraries. The lead compounds should have high-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=multidiscipl::2045d6c4f3856c1b227dab2be5fd9f92
Autor:
Esther Jamir, Himakshi Sarma, Lipsa Priyadarsinee, Selvaraman Nagamani, Kikrusenuo Kiewhuo, Anamika Singh Gaur, Ravindra K Rawal, Natarajan Arul Murugan, Venkatesan Subramanian, G Narahari Sastry
Publikováno v:
Journal of chemical sciences (Bangalore, India). 134(2)
Exploring the new therapeutic indications of known drugs for treating COVID-19, popularly known as drug repurposing, is emerging as a pragmatic approach especially owing to the mounting pressure to control the pandemic. Targeting multiple targets wit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::606170e4430357683b436e2e4a188244
https://pubmed.ncbi.nlm.nih.gov/35498548
https://pubmed.ncbi.nlm.nih.gov/35498548
Publikováno v:
Scientific Reports
Scientific Reports, Vol 10, Iss 1, Pp 1-16 (2020)
Scientific Reports, Vol 10, Iss 1, Pp 1-16 (2020)
The current outbreak of Covid-19 infection due to SARS-CoV-2, a virus from the coronavirus family, has become a major threat to human healthcare. The virus has already infected more than 5 M people and the number of deaths reported has reached more t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5153144b9d76859acebccb077f30e5fe
http://europepmc.org/articles/PMC7645721
http://europepmc.org/articles/PMC7645721