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Turkish Computational and Theoretical Chemistry — AJIndex

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Dergiler / Turkish Computational and Theoretical Chemistry

Turkish Computational and Theoretical Chemistry

Turkish Computational and Theoretical Chemistry

Koray SAYIN · Belirtilmemiş

Turkish Computational and Theoretical Chemistry will publish three issues a year as of 2023 (in January, May and September). Please send your CV to [email protected] to become a referee and editor in our journal Please click to see the forthcoming issue.

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2023 · Cilt: 7 - Sayı: 1

Makale	Yazar	Sayfa
Theoretical study of the reaction mechanism between triphenylphosphine with dimethyl acetylenedicarboxylates in the presence of 2-mercapto thiazoline	Mohammad ZAKARİANEZHAD, Batoul MAKİABADİ, Seyede Samira HOSSEİNİ, Elham ZEYDABADİ	1–13
An in silico investigation of allosteric inhibition potential of Dihydroergotamine against Sars-CoV-2 Main Protease (MPro)	Mehmet Murat YAŞAR, Ekrem YAŞAR, Nuri YORULMAZ, Emin TENEKECİ, İsmail Hakkı SARPÜN, Erol EROĞLU	14–36
Computational analysis using ADMET profiling, DFT calculations and molecular docking of two anti-cancer drugs	Anaridha S., Mohamed IMRAN P K, Khaja MOHİDEEN A, Salım MEERAN I, Shabeer T. K.	37–50
Cytotoxic activity of new thioglycosides against Escherichia coli: 2DQSAR study by Multiple Linear Regression method	Hassan BADAOUI, Yassıne KOUBI, Youness MOUKHLISS, Khalil EL KHATABİ, Mohamed OUABANE, M'barek CHOUKRAD, Mohammed Aziz AJANA, Abdelouahid SBAİ, Tahar LAKHLIFI, Mohammed BOUACHRINE	51–61
Homology Modeling Epitopes of Kirsten Rat Sarcoma (KRAS) G12D, G12V and G12R as Pancreatic Ductal Adenocarcinoma Vaccine Candidates	Yenı YENİ, Nining NİNİNG	62–71