Computational and Theoretical Chemistry

Institution: Instituto de Química Avanzada de Cataluña (IQAC)

Members (researchers): Albert Ortega Bartolomé, Berta Bori Bru, Ramon Crehuet

Home page: www.iqac.csic.es/qtc
Contact email: ramon.crehuet@iqac.csic.es

Tools: NEMAT: An Automated Non-Equilibrium Free-Energy Framework for Predicting Ligand Affinity in Membrane Proteins

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