Turkish Computational and Theoretical Chemistry » Volume: 9 Issue: 4

Early Pub

Research Article

Research Article

1. Computational Discovery of New HDAC2 Inhibitors by High Throughput Virtual Screening, Molecular Docking, MM-GBSA, and Molecular Dynamic Simulation

Ayad Al-hamashi , Mazen Mohammed , Ali Al-samyda , Israa Kadhim Mohammed

Page : 1-14

Research Article

2. In Silico Molecular Modelling and Dynamic Simulations, ADME Parameters Predictions of new Naproxen Analogues Containing 1,3,4-Oxadiazole as Anti-inflammatory Agents

Farooq Algaragoolee , Ayad Kareem , Shakir Mahmood Alwan

Page : 15-28

Research Article

3. Kinetic DFT study of the mechanism of the [3+2] reaction of a five-membered cyclic nitrone with 2-butene isomers

Boulanouar Messaoudı

Page : 29-39

Research Article

4. Exploring the Inhibitory Potential of Podolactone B against Human Acetylcholinesterase: A Docking Study

Ashif Bahrudeen , Naveen Kumar Rajasekaran , Chetan Ashok , J Srikanth , Logeshwari B , Sivaraman Dhanasekaran , Mahendran Sekar , Ling Shing Wong , Vetriselvan Subramaniyan

Page : 40-53

Research Article

5. Investigation of the Effect of Vanillin-Based Compound Derivatives Against Breast Cancer by Molecular Docking Method and Computational Chemistry, ADMET Analysis

Page : 54-63

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Journal Full Title: Turkish Computational and Theoretical Chemistry

Journal Abbreviated Title: Turkish Comp Theo Chem (TC&TC)