Publications

Influence of Spacer-Receptor Interactions on the Stability of Bivalent Ligand-Receptor Complexes
J. Phys. Chem. B, 116 (8), pp 2595 to 2604, 2012
Numata - Juneja - Diestler - Knapp

Merging Implicit with Explicit Solvent Simulations: Polyethylene Glycol
J. Chem. Theory Comput., 6 (6), pp 1871-1883, 2010
Juneja - Numata - Nilsson - Knapp

Bound Ligand Conformer Revealed by Flexible Structure Alignment in Absence of Crystal Structures: Indirect Drug Design Probed for HIV-1 Protease Inhibitors
J. Chem. Theory Comput., 5 (3), pp 659-673 , 2009
Juneja - Riedesel - Hodoscek - Knapp