Zobrazeno 1 - 10
of 32
pro vyhledávání: '"Alexandra Vardi"'
Autor:
Lev Shapira, Shaul Lerner, Guila Assayag, Alexandra Vardi, Dikla Haham, Gideon Bar, Vicky Fidelsky Kozokaro, Maayan Elias Robicsek, Immanuel Lerner, Amit Michaeli
Publikováno v:
Frontiers in Drug Discovery, Vol 2 (2022)
Introduction: The COVID-19 pandemic has cast a heavy toll in human lives and global economics. COVID-19 is caused by the SARS-CoV-2 virus, which infects cells via its spike protein binding human ACE2.Methods: To discover potential inhibitory peptidom
Externí odkaz:
https://doaj.org/article/7a6cb3b1fa4a404799dd97bf143d0409
Autor:
Carvalho, Alexandra T.P., Barrozo, Alexandre, Doron, Dvir, Kilshtain, Alexandra Vardi, Major, Dan Thomas, Kamerlin, Shina Caroline Lynn
Publikováno v:
In Journal of Molecular Graphics and Modelling November 2014 54:62-79
Publikováno v:
Current Pharmaceutical Design. 26:5713-5719
Background: As not all target proteins can be easily screened in vitro, advanced virtual screening is becoming critical. Objective: In this study, we demonstrate the application of reinforcement learning guided virtual screening for γ-aminobutyric a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8258cc734bdc67c18db7032467a50803
https://doi.org/10.2174/1381612826666201113104150
https://doi.org/10.2174/1381612826666201113104150
Akademický článek
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Publikováno v:
Journal of Biological Chemistry. 292:14229-14239
A key question concerning the catalytic cycle of Escherichia coli dihydrofolate reductase (ecDHFR) is whether the Met20 loop is dynamically coupled to the chemical step during catalysis. A more basic, yet unanswered question is whether the Met20 loop
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::38cc23040b97fcd6daf44dbf0169fde1
https://doi.org/10.1074/jbc.m117.777136
https://doi.org/10.1074/jbc.m117.777136
Autor:
Bilha Fischer, Alexandra Vardi-Kilshtain, Eliav Blum, Dan Thomas Major, Alon Haim Sayer, Bosmat Levi Hevroni
Publikováno v:
Dalton Transactions. 44:7305-7317
Although involved in various physiological functions, nucleoside bis-phosphate analogues and their metal-ion complexes have been scarcely studied. Hence, here, we explored the solution conformation of 2′-deoxyadenosine- and 2′-deoxyguanosine-3′
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::df4db7e3634934163b55e5a18463b316
https://doi.org/10.1039/c5dt00080g
https://doi.org/10.1039/c5dt00080g
Publikováno v:
The Journal of biological chemistry. 292(34)
A key question concerning the catalytic cycle of Escherichia coli dihydrofolate reductase (ecDHFR) is whether the Met20 loop is dynamically coupled to the chemical step during catalysis. A more basic, yet unanswered question is whether the Met20 loop
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::fa797fba01b7413e7518882499c79c70
https://pubmed.ncbi.nlm.nih.gov/28620051
https://pubmed.ncbi.nlm.nih.gov/28620051
Autor:
Lokesh Gakhar, Alexandra Vardi-Kilshtain, Dvir Doron, Dan Thomas Major, Vanja Stojković, Amnon Kohen
Publikováno v:
The Journal of Physical Chemistry B. 119:906-916
This study employs hybrid quantum mechanics-molecular mechanics (QM/MM) simulations to investigate the effect of mutations of the active-site residue I14 of E. coli dihydrofolate reductase (DHFR) on the hydride transfer. Recent kinetic measurements o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9d1730d0f42c302a507da9d6d52f7900
https://doi.org/10.1021/jp5059963
https://doi.org/10.1021/jp5059963
Autor:
Shina Caroline Lynn Kamerlin, Alexandra Vardi Kilshtain, Dvir Doron, Dan Thomas Major, Alexandra T. P. Carvalho, Alexandre Barrozo
Publikováno v:
Journal of Molecular Graphics and Modelling. 54:62-79
In this review we give an overview of the field of Computational enzymology. We start by describing the birth of the field, with emphasis on the work of the 2013 chemistry Nobel Laureates. We then present key features of the state-of-the-art in the f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::29117dcd1f3045f80a8bf4acade2467c