MMOC2026 is over: thank you!
Thanks to all the speakers, PhD students, participants and colleagues who contributed to these two days of scientific and professional exchange. See you soon!
Month: September 2026
Ligand binding free energy landscapes at the tubulin colchicine site from coarse-grained metadynamics
Andrea Grazzi, Chelsea M. Brown, Maurizio Sironi, Siewert J. Marrink & Stefano Pieraccini This study combines funnel metadynamics with the coarse-grained Martini 3 force field to investigate ligand binding at the colchicine site of tubulin and evaluates extensive unbiased coarse-grained molecular dynamics (CG-MD) simulations for binding site identification. The findings highlight protein flexibility as a critical determinant … Read more