| |
original article |
Date |
Title |
Authors All Authors |
| 1 |
[GO] |
2024―Nov―05 |
Exploring the covalent inhibition mechanisms of inhibitors with two different warheads acting on SARS-CoV-2 Mpro by QM/MM simulations |
Xiaoyue Yang, Mengguo Chen, Fanru Yuan, Jiangnan Zhang, Jinshuai Song, Longhua Yang |
| 2 |
[GO] |
2024―Sep―14 |
β-amino alcohols as promising inhibitory candidates against the SARS-CoV-2, A theoretical design based on MD simulation and DFT insights |
Hossein Eshghi, Nazanin Noroozi-Shad, Mohammad Javad Seddighi, Hossein Sabet-Sarvestani |
| 3 |
[GO] |
2023―Feb―01 |
Investigation of the Effects of N-Acetylglucosamine on the Stability of the Spike Protein in SARS-CoV-2 by Molecular Dynamics Simulations |
E. Deniz TEKIN |
| 4 |
[GO] |
2022―Sep―30 |
Trivalent and Pentavalent atoms doped Boron nitride nanosheets as Favipiravir drug carriers for the treatment of COVID-19 using computational approaches |
Afiya Akter Piya, Tanvir Ahmed, Md. Abdul Khaleque, Kabir Ahmed, Siraj Ud Duala Shamim |
| 5 |
[GO] |
2021―Aug―05 |
SARS-CoV spike proteins can compete for electrolytes in physiological fluids according to structure-based quantum-chemical calculations |
Enrico Margiotta, Célia Fonseca Guerra |
| 6 |
[GO] |
2021―Mar―18 |
Computational analysis of functional monomers used in molecular imprinting for promising COVID-19 detection |
Hasan Cubuk, Mehmet Ozbil, Pinar Cakir Hatir |
