Metadynamics simulations of ligands binding to protein surfaces: a novel tool for rational drug design

Ke Zuo, Agata Kranjc, Riccardo Capelli, Giulia Rossetti, Rachel Nechushtai, Paolo Carloni*

*Corresponding author for this work

Research output: Contribution to journalReview articlepeer-review

2 Scopus citations

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Physics & Astronomy

Chemical Compounds