المؤلفون: Jacqueline C. Calderón, Eva Plut, Max Keller, Chiara Cabrele, Oliver Reiser, Francesco L. Gervasio, Timothy Clark

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Molecular Biology, Pharmacology, Immunology, Cancer, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, 4 , 2 , 1 , binding free energies, alternative binding sites, unbinding free energies, one previously presented, extended metadynamics protocol, g ‑ protein, metadynamics protocol, protocol expands, vasopressin binding, oxytocin binding, unbinding small, peptide ligands, otr ), molecule ligands, exemplary simulations

Relation: https://figshare.com/articles/journal_contribution/Extended_Metadynamics_Protocol_for_Binding_Unbinding_Free_Energies_of_Peptide_Ligands_to_Class_A_G_Protein-Coupled_Receptors/24908651

الاتاحة: https://doi.org/10.1021/acs.jcim.3c01574.s001
https://figshare.com/articles/journal_contribution/Extended_Metadynamics_Protocol_for_Binding_Unbinding_Free_Energies_of_Peptide_Ligands_to_Class_A_G_Protein-Coupled_Receptors/24908651