The sixth volume of this series features these six different perspectives on the application of computational chemistry in rational drug design:
1. Computer-aided molecular design in computational chemistry
2. The role of ensemble conformational sampling using molecular docking & dynamics in drug discovery
3. Molecular dynamics applied to discover antiviral agents
4. Pharmacophore modeling approach in drug discovery against the tropical infectious disease malaria
5. Advances in computational network pharmacology for Traditional Chinese Medicine (TCM) research
6. Progress in electronic-structure based computational methods: from small molecules to large molecular systems of biological significance
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