Turkish Computational and Theoretical Chemistry Volume:7 Issue:1

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

Publication date : 2023-01-15

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

Publication date : 2023-01-15

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

Publication date : 2023-01-15

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

Publication date : 2023-01-15

Homology Modeling Epitopes of Kirsten Rat Sarcoma (KRAS) G12D, G12V and G12R as Pancreatic Ductal Adenocarcinoma Vaccine Candidates

Yenı YENİ, Nining NİNİNG

Publication date : 2023-01-15