In silico investigation of β-lactams as inhibitors of the spike protein receptor binding domain (RBD) of SARS-CoV-2
Open Access
- 10 November 2025
- journal article
- research article
- Published by Springer Nature in Discover Chemistry
- Vol. 2 (1) , 1-34
Abstract
No abstract availableKeywords
This publication has 57 references indexed in Scilit:
- Targeting the SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) with synthetic/designer unnatural nucleoside analogs: an in silico studyJournal of Molecular Modeling, 2023
- Paxlovid (Nirmatrelvir/Ritonavir): A new approach to Covid-19 therapy?Biomedicine & Pharmacotherapy, 2023
- Sequence analysis of the emerging SARS‐CoV‐2 variant Omicron in South AfricaJournal of Medical Virology, 2021
- Supervised molecular dynamics for exploring the druggability of the SARS-CoV-2 spike proteinJournal of Computer-Aided Molecular Design, 2020
- MDAnalysis: A toolkit for the analysis of molecular dynamics simulationsJournal of Computational Chemistry, 2011
- AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreadingJournal of Computational Chemistry, 2009
- CHARMM: The biomolecular simulation programJournal of Computational Chemistry, 2009
- AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibilityJournal of Computational Chemistry, 2009
- LINCS: A linear constraint solver for molecular simulationsJournal of Computational Chemistry, 1997
- The influence of polarization functions on molecular orbital hydrogenation energiesTheoretical Chemistry Accounts, 1973