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Computational identification of aspartic protease inhibitors for antimalarial drug development against Plasmodium Vivax

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Pubblicato in:Scientific Reports (Nature Publisher Group) vol. 15, no. 1 (2025), p. 14824-14844
Autore principale: Alruwaili, Muharib
Altri autori: Alhassan, Hassan H., Almutary, Hayfa, Tahir ul Qamar, Muhammad
Pubblicazione:
Nature Publishing Group
Soggetti:
Infections
Software
Public health
Antiparasitic agents
Parasitic diseases
Secondary structure
Optimization
Hydrogen
Proteinase inhibitors
Drug development
Proteases
Computer applications
Energy
Metabolism
Systems stability
Chloroquine
Protease inhibitors
Drug resistance
Malaria
Proteins
Simulation
Aspartic endopeptidase
Antimalarial agents
Parasites
Clinical trials
Free energy
Pharmacokinetics
Ligands
Protein structure
Vector-borne diseases
Natural products
Rigidity
Social
Accesso online:Citation/Abstract
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