Experimental Validation of the Predicted Binding Site ofEscherichia coliK1 Outer Membrane Protein A to Human Brain Microvascular Endothelial Cells

Two-Phase Thermodynamic Model for Efficient and Accurate Absolute Entropy of Water from Molecular Dynamics Simulations

(2010) Shiang-Tai Lin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

(2010) Jeffery B. Klauda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Predicted 3D structures for adenosine receptors bound to ligands: Comparison to the crystal structure

(2010) William A. Goddard et al.   JOURNAL OF STRUCTURAL BIOLOGY

CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes

(2009) Sunhwan Jo et al.   BIOPHYSICAL JOURNAL

CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses

(2009) Olgun Guvench et al.   Journal of Chemical Theory and Computation

Flat-Bottom Strategy for Improved Accuracy in Protein Side-Chain Placements

(2008) Victor Wai Tak Kam et al.   Journal of Chemical Theory and Computation

Additive empirical force field for hexopyranose monosaccharides

(2008) Olgun Guvench et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY