| |
original article |
Date |
Title |
Authors All Authors |
| 1 |
[GO] |
2023―Nov―30 |
Lasioglossin-1 peptide inhibits binding of spike protein of SARS-CoV-2 to ACE2 receptor: an in silico approach of some bee venom peptides |
Karim Mahnam, Mahtab Zarean, Zahra Ghobadi |
| 2 |
[GO] |
2022―Oct―25 |
In silico screening of potential antiviral inhibitors against SARS-CoV-2 main protease |
Kandhan Palanisamy, K. Rudharachari Maiyelvaganan, Shanmugasundaram Kamalakannan, Ramasamy Thilagavathi, Chelliah Selvam, Muthuramalingam Prakash |
| 3 |
[GO] |
2022―Aug―25 |
Plant-based bioactive molecules for targeting of endoribonuclease using steered molecular dynamic simulation approach: a highly conserved therapeutic target against variants of SARS-CoV-2 |
Arpana Parihar, Sayeda Samina Ahmed, Palak Sharma, Nishant Kumar Choudhary, Farjana Akter, Md Ackas Ali, et al. (+2) Zannatul Ferdous Sonia, Raju Khan |
| 4 |
[GO] |
2022―Aug―23 |
Comparison of the unbinding process of RBD-ACE2 complex between SARS-CoV-2 variants (Delta, delta plus, and Lambda): A steered molecular dynamics simulation |
Mohadese Abidi, Reza Soheilifard, Reza Hasanzadeh Ghasemi |
| 5 |
[GO] |
2022―Aug―12 |
Epitopes mapped onto SARS-CoV-2 receptor-binding motif by five distinct human neutralising antibodies |
Lucas J. Gutiérrez, Rodrigo D. Tosso, M. Natalia C. Zarycz, Ricardo D. Enriz, Héctor A. Baldoni |
| 6 |
[GO] |
2022―May―19 |
Molecular dynamics and intrinsic disorder analysis of the SARS-CoV-2 Nsp1 structural changes caused by substitution and deletion mutations |
Shokouh Rezaei, Filipe Pereira, Vladimir N. Uversky, Yahya Sefidbakht |
| 7 |
[GO] |
2022―Feb―03 |
Repurposing of approved drugs and nutraceuticals to identify potential inhibitors of SARS-COV-2’s entry into human host cells: a structural analysis using induced-fit docking, MMGBSA and molecular dynamics simulation approach |
Rajdeep Ray, Sumit Raosaheb Birangal, Fajeelath Fathima, G. Varadaraj Bhat, Mahadev Rao, G. Gautham Shenoy |
| 8 |
[GO] |
2021―Sep―22 |
Structure, interface stability and hot-spots identification for RBD(SARS-CoV-2):hACE2 complex formation |
Sebastián A. Andújar, Lucas J. Gutiérrez, Ricardo D. Enriz, Héctor A. Baldoni |
| 9 |
[GO] |
2021―Sep―14 |
Abrogating the nsp10-nsp16 switching mechanisms in SARS-CoV-2 by phytochemicals from Withania somnifera: a molecular dynamics study |
Said A. H. Vuai, Isaac Onoka, Mtabazi G. Sahini, Hulda S. Swai, Daniel M. Shadrack |
| 10 |
[GO] |
2021―Jul―27 |
An in silico molecular dynamics simulation study on the inhibitors of SARS-CoV-2 proteases (3CLpro and PLpro) to combat COVID-19 |
Krishnendu Bera, V. S. Jeba Reeda, P. R. Babila, Dhurvas Chandrasekaran Dinesh, Jozef Hritz, T. Karthick |
| 11 |
[GO] |
2021―Feb―13 |
In-silico strategies of some selected phytoconstituents from Melissa officinalis as SARS CoV-2 main protease and spike protein (COVID-19) inhibitors |
D. S. N. B. K. Prasanth, Murahari Manikanta, Vivek Chandramohan, Gangadharappa Bhavya, Atmakuri Lakshmana Rao, Siva Prasad Panda, et al. (+9) G. S. N. Koteswara Rao, Guntupalli Chakravarthi, Nayudu Teja, Peddireddy Suguna Rani, Gummadi Ashu, Chittiprolu Purnadurganjali, Puvvala Akhil, Gorriputti Vedita Bhavani, Tirumalasetti Jaswitha |
| 12 |
[GO] |
2021―Jan―14 |
In silico study of the interactions of Pilocarpus microphyllus imidazolic alkaloids with the main protease (Mpro) of SARS-CoV-2 |
Ézio R. A. de Sá, Allan N. Costa, Rayla K. M. Costa, Janilson L. Souza, Ricardo M. Ramos, Francisco das C. A. Lima |
| 13 |
[GO] |
2020―Aug―05 |
Conformational fingerprints in the modelling performance of MIA-QSAR: a case for SARS-CoV protease inhibitors |
Joyce K. Daré, Daniela R. Silva, Teodorico C. Ramalho, Matheus P. Freitas |
