Defining the specificity of carbohydrate-protein interactions by quantifying functional group contributions. | 0 | 0.34 | 2018 |
Applying pose clustering and MD simulations to eliminate false positives in molecular docking. | 0 | 0.34 | 2018 |
BFMP: A Method for Discretizing and Visualizing Pyranose Conformations. | 0 | 0.34 | 2014 |
Importance of ligand conformational energies in carbohydrate docking: Sorting the wheat from the chaff. | 1 | 0.36 | 2014 |
Gaussian induced dipole polarization model. | 7 | 0.60 | 2007 |
The Amber biomolecular simulation programs. | 474 | 36.77 | 2005 |
A hydration study of (1-->4) and (1-->6) linked alpha-glucans by comparative 10 ns molecular dynamics simulations and 500-MHz NMR. | 3 | 0.75 | 2004 |