A Metadynamics-Based Protocol for the Determination of GPCR-Ligand Binding Modes

Soldner, CA; Horn, AHC; Sticht, H

Sticht, H (reprint author), Friedrich Alexander Univ Erlangen Nurnberg FAU, Emil Fischer Ctr, Inst Biochem, Bioinformat, Fahrstr 17, D-91054 Erlangen, Germany.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2019; 20 (8):

Abstract

G protein-coupled receptors (GPCRs) are a main drug target and therefore a hot topic in pharmaceutical research. One important prerequisite to underst......

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