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Original Artikel |
Datum |
Titel |
Autoren Alle Autoren |
| 1 |
[GO] |
2025―Mai―14 |
Lyophilized nasal swabs for COVID-19 detection by ATR-FTIR spectroscopy: Machine learning-based approach |
Zubia Shahid, Khulla Naseer, Irshad Hussain, Javaria Qazi |
| 2 |
[GO] |
2025―Mrz―10 |
Autoencoder-based drug-virus association prediction with reliable negative sample selection: A case study with COVID-19 |
A.S. Aruna, K.R. Remesh Babu, K. Deepthi |
| 3 |
[GO] |
2025―Feb―20 |
Decoding SARS-CoV-2 variants: Mutations, viral stability, and breakthroughs in vaccines and therapies |
Zainularifeen Abduljaleel |
| 4 |
[GO] |
2024―Dez―30 |
Molecular dynamics of SARS-CoV-2 omicron variants from Philippine isolates against hesperidin as spike protein inhibitor |
June Alexis A. Santos, Searle S. Duay |
| 5 |
[GO] |
2024―Dez―29 |
Macromolecular interaction mechanism of the bacteriocin EntDD14 with the receptor binding domain (RBD) for the inhibition of SARS-CoV-2 and the JN.1 variant: Biomedical study based on elastic networks, stochastic Markov models, and macromolecular volumetric analysis |
Luis Moncayo Molina, María Erlinda Aguaiza Pichazaca, José Isidro Yamasqui Padilla, María Eufemia Pinos Calle, Karla Maribel Yamasqui Pinos, Arlene Cardozo Urdaneta, et al. (+6) Carla Lossada, Yovani Marrero-Ponce, Felix Martinez-Rios, Ysaías J. Alvarado, Aleivi Pérez, Lenin González-Paz |
| 6 |
[GO] |
2024―Dez―22 |
Met58 and di-acidic motif located at C-terminal region of SARS-CoV-2 ORF6 plays a crucial role in its structural conformations |
Prateek Kumar, Kumar Udit Saumya, Taniya Bhardwaj, Rajanish Giri |
| 7 |
[GO] |
2024―Okt―18 |
How fingers affect folding of a thumb: Inter-subdomain cooperation in the folding of SARS-CoV-2 RdRp protein |
Anushree Sinha, Angel Mary Chiramel Tony, Susmita Roy |
| 8 |
[GO] |
2024―Mai―16 |
Critical assessment of popular biomolecular force fields for molecular dynamics simulations of folding and enzymatic activity of main protease of coronavirus SARS-CoV-2 |
Kateryna O. Lohachova, Alexander Kyrychenko, Oleg N. Kalugin |
| 9 |
[GO] |
2023―Okt―20 |
A combination of structure-based virtual screening and experimental strategies to identify the potency of caffeic acid ester derivatives as SARS-CoV-2 3CLpro inhibitor from an in-house database |
Piyatida Pojtanadithee, Kulpornsorn Isswanich, Koonchira Buaban, Supakarn Chamni, Patcharin Wilasluck, Peerapon Deetanya, et al. (+5) Kittikhun Wangkanont, Thierry Langer, Peter Wolschann, Kamonpan Sanachai, Thanyada Rungrotmongkol |
| 10 |
[GO] |
2023―Mrz―31 |
Potential differentiation of successive SARS-CoV-2 mutations by RNA: DNA hybrid analyses |
Lijun He, Zhiyang Xie, Xing Long, Chaopeng Zhang, Kang Ma, Liang She |
| 11 |
[GO] |
2022―Sep―11 |
Computational pharmacology: New avenues for COVID-19 therapeutics search and better preparedness for future pandemic crises |
Austė Kanapeckaitė, Asta Mažeikienė, Liesbet Geris, Neringa Burokienė, Graeme S. Cottrell, Darius Widera |
| 12 |
[GO] |
2022―Jun―26 |
Molecular docking and machine learning affinity prediction of compounds identified upon softwood bark extraction to the main protease of the SARS-CoV-2 virus |
Michal Jablonský, Marek Štekláč, Veronika Majová, Marián Gall, Ján Matúška, Michal Pitoňák, Lukáš Bučinský |
| 13 |
[GO] |
2022―Jun―07 |
Conformational ensemble of the full-length SARS-CoV-2 nucleocapsid (N) protein based on molecular simulations and SAXS data |
Bartosz Różycki, Evzen Boura |
| 14 |
[GO] |
2022―Mai―19 |
Effect of pH on stability of dimer structure of the main protease of coronavirus-2 |
Panisak Boonamnaj, R.B. Pandey, Pornthep Sompornpisut |
| 15 |
[GO] |
2021―Aug―19 |
Comparative study of the interaction of ivermectin with proteins of interest associated with SARS-CoV-2: A computational and biophysical approach |
Lenin González-Paz, María Laura Hurtado-León, Carla Lossada, Francelys V. Fernández-Materán, Joan Vera-Villalobos, Marcos Loroño, et al. (+3) J.L. Paz, Laura Jeffreys, Ysaias J. Alvarado |
| 16 |
[GO] |
2021―Mai―28 |
A computational evaluation of targeted oxidation strategy (TOS) for potential inhibition of SARS-CoV-2 by disulfiram and analogues |
Luyan Xu, Jiahui Tong, Yiran Wu, Suwen Zhao, Bo-Lin Lin |
| 17 |
[GO] |
2021―Apr―29 |
Proposal of novel natural inhibitors of severe acute respiratory syndrome coronavirus 2 main protease: Molecular docking and ab initio fragment molecular orbital calculations |
Divya Shaji, Shohei Yamamoto, Ryosuke Saito, Ryo Suzuki, Shunya Nakamura, Noriyuki Kurita |
| 18 |
[GO] |
2021―Mrz―09 |
A theoretical study on the effects of interdomain flexibility on drug encounter rate for coronavirus nucleocapsid-type proteins |
Tatsuhito Matsuo |
| 19 |
[GO] |
2021―Feb―21 |
Evaluation of potential anti-RNA-dependent RNA polymerase (RdRP) drugs against the newly emerged model of COVID-19 RdRP using computational methods |
Alireza Poustforoosh, Hassan Hashemipour, Burak Tüzün, Abbas Pardakhty, Mehrnaz Mehrabani, Mohammad Hadi Nematollahi |
| 20 |
[GO] |
2020―Dez―28 |
Recent trends in analytical and digital techniques for the detection of the SARS-Cov-2 |
Chitrangada Das Mukhopadhyay, Pramita Sharma, Koel Sinha, Keshav Rajarshi |
| 21 |
[GO] |
2020―Nov―28 |
An insight into the interaction between α-ketoamide- based inhibitor and coronavirus main protease: A detailed in silico study |
Snehasis Banerjee |
| 22 |
[GO] |
2020―Sep―22 |
1,2,4 triazolo[1,5-a] pyrimidin-7-ones as novel SARS-CoV-2 Main protease inhibitors: In silico screening and molecular dynamics simulation of potential COVID-19 drug candidates |
Kuppuswamy Kavitha, Subramaniam Sivakumar, Balasubramanian Ramesh |
| 23 |
[GO] |
2020―Sep―03 |
Silico analysis of interaction between full-length SARS-CoV2 S protein with human Ace2 receptor: Modelling, docking, MD simulation |
Li Rui, Li Haonan, Chen Wanyi |
| 24 |
[GO] |
2020―Aug―11 |
Host-membrane interacting interface of the SARS coronavirus envelope protein: Immense functional potential of C-terminal domain |
Shruti Mukherjee, Dipita Bhattacharyya, Anirban Bhunia |
| 25 |
[GO] |
2020―Jul―29 |
Orientation of immobilized antigens on common surfaces by a simple computational model: Exposition of SARS-CoV-2 Spike protein RBD epitopes |
Linda Cerofolini, Marco Fragai, Claudio Luchinat, Enrico Ravera |
| 26 |
[GO] |
2020―Jul―22 |
Mechanistic insights of host cell fusion of SARS-CoV-1 and SARS-CoV-2 from atomic resolution structure and membrane dynamics |
Hirak Chakraborty, Surajit Bhattacharjya |
| 27 |
[GO] |
2020―Jul―07 |
Reckoning a fungal metabolite, Pyranonigrin A as a potential Main protease (Mpro) inhibitor of novel SARS-CoV-2 virus identified using docking and molecular dynamics simulation |
Priyashi Rao, Arpit Shukla, Paritosh Parmar, Rakesh M. Rawal, Baldev Patel, Meenu Saraf, Dweipayan Goswami |
| 28 |
[GO] |
2020―Jun―29 |
Delving deep into the structural aspects of a furin cleavage site inserted into the spike protein of SARS-CoV-2: A structural biophysical perspective |
Wei Li |
