Benchmarking Water Models in Molecular Dynamics of Protein-Glycosaminoglycan Complexes.

J Chem Inf Model · 2024 · PMC10934818 · PMID 38410841

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showed a trendno p-value reported

Analysis of Contacts and H-Bonds Analysis of contacts ( Figures 6 and 7 ) showed a trend similar to that observed from the RMSD and MM/GBSA analyses for the simulations using explicit water models.

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