What EFMC-ISMC 2026 revealed about the changing practice of drug discovery: from generative chemistry and automated DMTA cycles to allosteric pockets, DMPK liabilities, and human decision-making.
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A beginner-friendly guide to how molecular dynamics (MD) simulations work, their applications in structural bioinformatics and materials science, and the insights they provide into complex molecular systems.
Mar 12, 2023