GMMX Conformation Searching and Prediction of NMR Proton-Proton Coupling Constants
作者： Fred L. Tobiason , Gérard Vergoten
DOI: 10.1007/978-94-011-5484-0_8
关键词: Thermodynamics 、 Physics 、 Vicinal 、 Proton 、 Dihedral angle 、 Coupling constant 、 Coupling 、 Work (thermodynamics)
摘要: … The conformational searching method used in these studies is based on the GMMX protocol [11] of mixed combinations of Monte Carlo coordinate movements and bond rotations. The …
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