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COVID answers in Scientific Journals all over the world


15 Results       Page 1

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Informa UK (Taylor & Francis): Molecular Simulation
  original article Date Title Authors   All Authors
1 [GO] 2024―Oct―16 Modelling of SARS-CoV-2 spike protein structures at varying pH values Ziyuan Niu, Georgios Kementzidis, Peng Zhang, Ziji Zhang, Bernard Essuman, Karin Hasegawa, et al. (+5)
2 [GO] 2024―Sep―23 Molecular docking and molecular dynamics simulation studies reveal repurposing I-Motif ligand as a promising protease inhibitor against SARS-CoV-2 variants Napat Prompat, Panik Nadee, Amornrat Phongdara, Aekkaraj Nualla-ong
3 [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
4 [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
5 [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)
6 [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
7 [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
8 [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
9 [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
10 [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
11 [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
12 [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
13 [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)
14 [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
15 [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
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15 Results       Page 1


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