Molecular docking, molecular dynamics simulation and MM-PB/GBSA analysis for the inhibition of Klebsiella pneumoniae SHV-1 β-lactamase using antimicrobial peptides defensin VvK1 and snakin-1
This computational study aims to explore the inhibition property of two plant-derived AMPs (antimicrobial peptides), defensin VvK1 and snakin-1, against SHV-1 β-lactamase from Klebsiella pneumoniae by molecular docking, MDS (molecular dynamics simulation) and MM-PB/GBSA (Molecular Mechanics-Poisson-...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
KeAi Communications Co., Ltd.
2025-06-01
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| Series: | Biomedical Analysis |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2950435X25000320 |
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