Structural and Computational-Driven Molecule Design in Drug Discovery

ISBN 10: 3725810141 / ISBN 13: 9783725810147

Editore: Mdpi AG, 2024

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• Titolo: Structural and Computational-Driven Molecule Design in Drug Discovery
• Editore: Mdpi AG
• Data di pubblicazione: 2024
• Lingua: Inglese
• ISBN 10: 3725810141
• ISBN 13: 9783725810147
• Rilegatura: Rilegato
• Condizione: New

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Riassunto

This Special Issue aimed to provide deep mechanistic insights into strategies in structural dynamics studies and computational methods. The areas of research included but were not limited to the following: structural dynamics studies, computer-aided drug designs, molecular dynamic simulations, molecular docking, virtual screening, QSAR, and in silico ADMET analyses.