In Silico Mutagenesis-Based Remodelling of SARS-CoV-1 Peptide (ATLQAIAS) to Inhibit SARS-CoV-2: Structural-Dynamics and Free Energy Calculations
Abbas Khan, Shaheena Umbreen, Asma Hameed, Rida Fatima, Ujala Zahoor, Zainib Babar, Muhammad Waseem, Zahid Hussain, Muhammad Rizwan, Nasib Zaman, Shahid Ali, Muhammad Suleman, Abdullah Shah, Liaqat Ali, Syed Shujait Ali, Dong‐Qing Wei
Topics & Concepts
PeptideIn silicoSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)MutagenesisCoronavirus disease 2019 (COVID-19)Molecular dynamicsDocking (animal)Computational biologyBiologyChemistryBiochemistryMutantInfectious disease (medical specialty)MedicineComputational chemistryGeneNursingPathologyDiseaseComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchAntimicrobial Peptides and Activities