dat@UBFCdat@UBFC search : (discipline:"mathematical & computational biology" | discipline:"physics, condensed matter") method:"Simulation or computational data"dat@UBFC websitehttps://search-data.ubfc.fr/custom/logo/icon/100.pnghttps://search-data.ubfc.fr/custom/logo/full/105h.pnghttps://search-data.ubfc.fr/search.php?s=%28discipline%3A%22mathematical+%26+computational+biology%22+%7C+discipline%3A%22physics%2C+condensed+matter%22%29+method%3A%22Simulation+or+computational+data%22&format=atom&lang=en2022-05-20T13:08:22ZNew spiropyrrolothiazole derivatives bearing an oxazolone moiety as potential antidiabetic agent: Design, synthesis, crystal structure, Hirshfeld surface analysis, ADME and molecular docking studieshttps://search-data.ubfc.fr/FR-18008901306731-2022-05-20-02_New-spiropyrrolothiazole-derivatives-bearing-an.html#maj202205201508222022-05-20T13:08:22Z2022-05-20T13:08:22ZKaïss AouadiMejdi SnoussiManel Ben HammoudaAnouar El HassaneMohedinne AskriAdel KadriAnna KruppKhaled HamdenMichael Knorrhttps://www.utinam.cnrs.fr/?Michael-KNORRLukas BriegerCarsten StrohmannSarra Boudriga
<p>In a sustained search for novel and effective antihyperglycemics, a new series of fifteen isomeric oxazolone-fused dispiropyrrolothiazoles resulting from one-pot three component reaction between L-4-thiazolidine carboxylic acid, arylidene-oxazolones and isatin (or acenaphthenequinone) has been ...</p>
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<strong>Disciplines :</strong>
<a href="https://search-data.ubfc.fr/search.php?s=discipline%3A%22chemistry%2C+organic%22">chemistry, organic</a>
<a href="https://search-data.ubfc.fr/search.php?s=discipline%3Acrystallography">crystallography</a>
<a href="https://search-data.ubfc.fr/search.php?s=discipline%3A%22mathematical+%26+computational+biology%22">mathematical & computational biology</a>
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<div><strong>Collected date :</strong> from 2017 to 2020</div>
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<strong>Creators :</strong>
<a href="https://search-data.ubfc.fr/search.php?s=creator%3A%22Manel+Ben+Hammouda%22">Manel Ben Hammouda</a>
<a href="https://search-data.ubfc.fr/search.php?s=creator%3A%22Sarra+Boudriga%22">Sarra Boudriga</a>
<a href="https://search-data.ubfc.fr/search.php?s=creator%3A%22Khaled+Hamden%22">Khaled Hamden</a>
<a href="https://search-data.ubfc.fr/search.php?s=creator%3A%22Mohedinne+Askri%22">Mohedinne Askri</a>
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AttributionAntimicrobial Activity and DFT Studies of a Novel Set of Spiropyrrolidines Tethered with Thiochroman-4-one/Chroman-4-one Scaffoldshttps://search-data.ubfc.fr/FR-18008901306731-2022-05-20_Antimicrobial-Activity-and-DFT-Studies-of-a-Novel.html#maj202205201129522022-05-20T09:29:52Z2022-05-20T09:29:52ZMichael Knorrhttps://www.utinam.cnrs.fr/?Michael-KNORRNourhène ChouchèneAmani ToumiLukas BriegerMansour SobehCarsten StrohmannArmand SolderaSarra BoudrigaMohedinne Askri
<p>A novel series of 14 spiropyrrolidines bearing thiochroman-4-one/chroman-4-one, and oxindole/acenaphthylene-1,2-dione moieties were synthesized and characterized by spectroscopic techniques, as well as by three X-ray diffraction studies, corroborating the stereochemistry. Quantum chemical ...</p>
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<strong>Disciplines :</strong>
<a href="https://search-data.ubfc.fr/search.php?s=discipline%3A%22chemistry%2C+organic%22">chemistry, organic</a>
<a href="https://search-data.ubfc.fr/search.php?s=discipline%3Acrystallography">crystallography</a>
<a href="https://search-data.ubfc.fr/search.php?s=discipline%3A%22mathematical+%26+computational+biology%22">mathematical & computational biology</a>
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<div><strong>Collected date :</strong> from 2017 to 2019</div>
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<strong>Creators :</strong>
<a href="https://search-data.ubfc.fr/search.php?s=creator%3A%22Nourh%C3%A8ne+Chouch%C3%A8ne%22">Nourhène Chouchène</a>
<a href="https://search-data.ubfc.fr/search.php?s=creator%3A%22Amani+Toumi%22">Amani Toumi</a>
<a href="https://search-data.ubfc.fr/search.php?s=creator%3A%22Sarra+Boudriga%22">Sarra Boudriga</a>
<a href="https://search-data.ubfc.fr/search.php?s=creator%3A%22Mansour+Sobeh%22">Mansour Sobeh</a>
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AttributionGooglomics: Inferring hidden causal relations between pathway members using reduced Google matrix of directed biological networkshttps://search-data.ubfc.fr/FR-18008901306731-2017-03-28-04_Googlomics-Inferring-hidden-causal-relations.html#maj201801301706502017-03-28T12:15:31Z2018-01-30T16:06:50ZJosé Lageshttp://perso.utinam.cnrs.fr/~lages/Dima Shepelyanskyhttp://www.quantware.ups-tlse.fr/dima/Andrei Zinovyevhttp://www.ihes.fr/~zinovyev/
<p>Signaling pathways represent parts of the global biological network which connects them into a seamless whole through complex direct and indirect (hidden) crosstalk whose structure can change during normal development or in a pathological conditions such as cancer. Advanced methods for ...</p>
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<strong>Disciplines :</strong>
<a href="https://search-data.ubfc.fr/search.php?s=discipline%3A%22mathematical+%26+computational+biology%22">mathematical & computational biology</a>
<a href="https://search-data.ubfc.fr/search.php?s=discipline%3Aoncology">oncology</a>
<a href="https://search-data.ubfc.fr/search.php?s=discipline%3A%22physics%2C+mathematical%22">physics, mathematical</a>
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<div><strong>Collected date :</strong> from Dec 2015 to Dec 2016</div>
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<strong>Creators :</strong>
<a href="https://search-data.ubfc.fr/search.php?s=creator%3A%22Jos%C3%A9+Lages%22">José Lages</a>
<a href="https://search-data.ubfc.fr/search.php?s=creator%3A%22Dima+Shepelyansky%22">Dima Shepelyansky</a>
<a href="https://search-data.ubfc.fr/search.php?s=creator%3A%22Andrei+Zinovyev%22">Andrei Zinovyev</a>
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Attribution, Non Commercial, Share AlikeVan't Hoff law for temperature dependent Langmuir constants in clathrate hydrate nanocavities.https://search-data.ubfc.fr/FR-18008901306731-2016-03-22_Van-t-Hoff-law-for-temperature-dependent-Langmuir.html#maj201611251138272016-03-22T00:00:00Z2016-11-25T10:38:27ZAzzedine Lakhlifihttps://www.utinam.cnrs.fr/?Lakhlifi-Azzedine,55Pierre-Richard Dahoo
<p>This work gives a set of parameters of van't Hoff law expression for calculating Langmuir constants of different gas species to determine their occupancy in clathrate hydrates in a temperature range 50 – 300 K. The van't Hoff law's parameters are derived from potential energy calculations using a ...</p>
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<strong>Disciplines :</strong>
<a href="https://search-data.ubfc.fr/search.php?s=discipline%3A%22physics%2C+condensed+matter%22">physics, condensed matter</a>
<a href="https://search-data.ubfc.fr/search.php?s=discipline%3A%22astronomy+%26+astrophysics%22">astronomy & astrophysics</a>
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<div><strong>Collected date :</strong> from 2013 to 2014</div>
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<strong>Creators :</strong>
<a href="https://search-data.ubfc.fr/search.php?s=creator%3A%22Azzedine+Lakhlifi%22">Azzedine Lakhlifi</a>
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Attribution, No Derivs