Published February 28, 2024
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Saccharide simulations comparing CHARMM36, CHARMM36-NBFIX, and prosECCo75 force fields, part 2/3
Authors/Creators
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1.
Central European Institute of Technology – Masaryk University
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2.
Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry
Description
To cite: Nencini, R. et al. Effective Inclusion of Electronic Polarization Improves the Description of Electrostatic Interactions: The prosECCo75 Biomolecular Force Field. J. Chem. Theory Comput. 2024, 20, 17, 7546–7559. DOI: 10.1021/acs.jctc.4c00743
Osmotic coefficient predictions from molecular dynamics simulations of D-glucuronic acid-sodium solutions
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