| |
Original Artikel |
Datum |
Titel |
Autoren Alle Autoren |
| 1 |
[GO] |
2023―Aug―29 |
Applying the bioisosterism strategy to obtain lead compounds against SARS-CoV-2 cysteine proteases: An in-silico approach |
João Ricardo Bueno de Morais Borba, Leonardo Pereira de Araújo, Marcia Paranho Veloso, Nelson José Freitas da Silveira |
| 2 |
[GO] |
2023―Jun―26 |
Exploring the inhibition mechanism of SARS-CoV-2 main protease by ebselen: A molecular docking, molecular dynamics simulation and DFT approach |
Wanli You, Yuandao Chen |
| 3 |
[GO] |
2023―Mrz―31 |
All
-atom simulations of the trimeric spike protein of
SARS-CoV
-2 in aqueous medium: Nature of interactions, conformational stability and free energy diagrams for conformational transition of the protein |
Bhavana Panthi, Saheb Dutta, Amalendu Chandra |
| 4 |
[GO] |
2022―Nov―18 |
Binding of human ACE2 and RBD of Omicron enhanced by unique interaction patterns among
SARS-CoV
-2 variants of concern |
Seonghan Kim, Yi Liu, Matthew Ziarnik, Sangjae Seo, Yiwei Cao, X. Frank Zhang, Wonpil Im |
| 5 |
[GO] |
2021―Sep―30 |
Repurposing fusion inhibitor peptide against
SARS-CoV
-2 |
Faiyaz Md. Efaz, Shafiqul Islam, Shafi Ahmad Talukder, Shaila Akter, Md. Zakaria Tashrif, Md. Ackas Ali, et al. (+4) Md. Abu Sufian, Md. Rimon Parves, Md. Jahirul Islam, Mohammad A. Halim |
| 6 |
[GO] |
2021―Jul―20 |
Identification of novel inhibitors of
SARS-CoV
-2 main protease (M
pro
) from
Withania
sp. by molecular docking and molecular dynamics simulation |
Surjeet Verma, Chirag N. Patel, Muktesh Chandra |
| 7 |
[GO] |
2021―Mrz―13 |
Drug repositioning to target
NSP15
protein on
SARS-CoV
-2 as possible
COVID
-19 treatment |
Yudibeth Sixto-López, Marlet Martínez-Archundia |
| 8 |
[GO] |
2020―Jul―21 |
Atomistic simulation reveals structural mechanisms underlying
D614G
spike glycoprotein-enhanced fitness in
SARS-COV
-2 |
I. Olaposi Omotuyi, Oyekanmi Nash, O. Basiru Ajiboye, C. Gift Iwegbulam, E. Babatunji Oyinloye, O. Abimbola Oyedeji, et al. (+2) Z. Abimbola Kashim, Kunle Okaiyeto |
