Published Research

Our scientists and customers actively collaborate on a wide range of basic theoretical discussions of QuantumBio's proprietary technology to more application-oriented discussions of the software's capabilities. Please see the list below for the most current publications highlighting QuantumBio's product line.

 

Peer-reviewed Publications featuring QuantumBio's solutions:

April 09, 2010
Publication: Computational alanine scanning with linear scaling semi-empirical quantum mechanical methods
March 10, 2010
Publication: Quantum Mechanical Pairwise Decomposition Analysis of Protein Kinase B Inhibitors: Validating a New Tool for Guiding Drug Design
October 02, 2009
Publication: AM1 Parameters for the Prediction of 1H and 13C NMR Chemical Shifts in Proteins
August 23, 2008
Publication: MNDO Parameters for the Prediction of 19F NMR Chemical Shifts in Biologically Relevant Compounds
September 15, 2007
Publication: A Critical Assessment of the Performance of Protein-Ligand Scoring Functions Based on NMR Chemical Shift Perturbations

 

 

Publication List by Subject:

- Fundamental Theory and Critical Assessment of Performance
- Quantum Mechanics Scoring Function (QMScore)
- Quantum Mechanics in Xray Refinement
- Pairwise Decomposition (PWD) and SE-COMBINE
- Quantum Mechanics in NMR Refinement
- Quantum Mechanics in QM-QSAR Applications