Comparison of Carbohydrate Force Fields Using Gaussian Accelerated Molecular Dynamics Simulations and Development of Force Field Parameters for Heparin-Analogue Pentasaccharides.

Tue, 01 Jan 2019 00:00:00 +0100

Gábor Dániel Balogh, Tamás Gyöngyösi, István Timári , Mihály Herczeg, Anikó Borbás, Krisztina Fehér , Katalin E. Kövér:
Comparison of Carbohydrate Force Fields Using Gaussian Accelerated Molecular Dynamics Simulations and Development of Force Field Parameters for Heparin-Analogue Pentasaccharides. J. Chem. Inf. Model. 59(11): 4855-4867 (2019)