Bibliography

Interaction Perception

[Cavallo-2016]
G. Cavallo, P. Metrangolo, R. Milani, T. Pilati, A. Priimagi, G. Resnati, and G. Terraneo,
The Halogen Bond
Chemical Reviews Vol. 116 no. 4, pp. 2478-–2601, 2016
[Bissantz-2010]
C. Bissantz, B. Kuhn, and M. Stahl,
A medicinal chemist’s guide to molecular interactions,
Journal of Medicinal Chemistry Vol. 53 no. 14, pp. 5061–5084, 2010
[Kumar-2002]
S. Kuma and R. Nussinov,
Relationship between ion pair geometries and electrostatic strengths in proteins,
Biophysical Journal, Vol. 83 no. 3, pp. 1595–-1612, 2002.
[Marcou-2007]
G. Marcou, and D. Rognan,
Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints
Journal of Chemical Information and Modeling Vol. 47 no. 1, pp. 195–-207, 2007

Drug-likeness

[Bemis-1996]
Guy W. Bemis and Mark A. Murcko,
The Properties of Known Drugs. 1. Molecular Frameworks,
Journal of Medicinal Chemistry, Vol. 39, pp. 2887–2893 1996,
[Lipinski-1997]
Lipinski, C.A., Lombardo, F., Dominy, B.W. and Feeney, P.J.,
Experimental and Computational Approaches to Estimate Solubility and Permeability in Drug Discovery and Development Settings,
Advanced Drug Delivery Reviews, Vol. 23, pp. 3-25, 1997

Validating Protein-Ligand Structures

[Warren-2012]
G. L.Warren, T. D. Do, B. P. Kelley, A. Nicholls, and S. D. Warren,
Essential considerations for using protein-ligand structures in drug discovery
Drug Discovery Today Vol. 17 no. 23–24, pp. 1270–1281, 2012