Zobrazeno 1 - 10
of 18
pro vyhledávání: '"Francesco Trozzi"'
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 20, Iss , Pp 50-64 (2022)
The Light-Oxygen-Voltage 2 (LOV2) domain of Avena Sativa phototropin 1 (AsLOV2) protein is one of the most studied domains in the field of designing photoswitches. This is due to the several unique features in the AsLOV2, such as the monomeric struct
Externí odkaz:
https://doaj.org/article/9c35c888895e480c875f8870a747113a
Publikováno v:
Frontiers in Molecular Biosciences, Vol 8 (2021)
Molecular dynamics (MD) simulations have been actively used in the study of protein structure and function. However, extensive sampling in the protein conformational space requires large computational resources and takes a prohibitive amount of time.
Externí odkaz:
https://doaj.org/article/0dd63e9213564b10acf17ca8968be3b0
Publikováno v:
PLoS Computational Biology, Vol 17, Iss 7, p e1009168 (2021)
In Arabidopsis thaliana, the Light-Oxygen-Voltage (LOV) domain containing protein ZEITLUPE (ZTL) integrates light quality, intensity, and duration into regulation of the circadian clock. Recent structural and biochemical studies of ZTL indicate that
Externí odkaz:
https://doaj.org/article/103680ec68754de2bfdd65f598f5b53f
Publikováno v:
International Journal of Molecular Sciences, Vol 22, Iss 4, p 1573 (2021)
Severe Acute Respiratory Syndrome Corona Virus 2 has altered life on a global scale. A concerted effort from research labs around the world resulted in the identification of potential pharmaceutical treatments for CoVID-19 using existing drugs, as we
Externí odkaz:
https://doaj.org/article/4024adf58dcd49fd9a8f6cc2781dd9f1
Autor:
Niraj Verma, Xingming Qu, Francesco Trozzi, Mohamed Elsaied, Nischal Karki, Yunwen Tao, Brian Zoltowski, Eric C. Larson, Elfi Kraka
Publikováno v:
International Journal of Molecular Sciences, Vol 22, Iss 3, p 1392 (2021)
Computational prediction of Protein-Ligand Interaction (PLI) is an important step in the modern drug discovery pipeline as it mitigates the cost, time, and resources required to screen novel therapeutics. Deep Neural Networks (DNN) have recently show
Externí odkaz:
https://doaj.org/article/3f06b666a5ff460f940de6cef381cc0e
Autor:
Francesco Trozzi, Nischal Karki, Zilin Song, Niraj Verma, Elfi Kraka, Brian D. Zoltowski, Peng Tao
Publikováno v:
Org Biomol Chem
The Angiotensin Converting Enzyme 2 (ACE2) assists the regulation of blood pressure and is the main target of the coronaviruses responsible for SARS and COVID19. The catalytic function of ACE2 relies on the opening and closing motion of its peptidase
Autor:
Carmen Al-Masri, Francesco Trozzi, Marcel Patek, Anna Cichońska, Balaguru Ravikumar, Rayees Rahman
Protein kinases are a family of signalling proteins, crucial for maintaining cellular homeostasis. When dysregulated, kinases drive the pathogenesis of several diseases, and are thus one of the largest target categories for drug discovery. Kinase act
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4d879c79eebbc4b508236b8fb9367fa7
https://doi.org/10.1101/2022.12.02.518928
https://doi.org/10.1101/2022.12.02.518928
Publikováno v:
ACS Physical Chemistry Au. 2(4)
With the increasing popularity of machine learning (ML) applications, the demand for explainable artificial intelligence techniques to explain ML models developed for computational chemistry has also emerged. In this study, we present the development
Publikováno v:
Org Biomol Chem
Efficient mechanism-based design of antibiotics that are not susceptible to β-lactamases is hindered by the lack of comprehensive knowledge on the energetic landscapes for the hydrolysis of various β-lactams. Herein, we adopted efficient quantum me