Alexander Alex

Intramolecular hydrogen bonding to improve membrane permeability and absorption in beyond rule of five chemical space

Alexander Alex, David S. Millan, Manuel Pérez et al. · MedChemComm · 2011 · 314 citations

BLEEP?potential of mean force describing protein-ligand interactions: I. Generating potential

John B. O. Mitchell, Roman A. Laskowski, Alexander Alex et al. · Journal of Computational Chemistry · 1999 · 177 citations

Engineering, Protein Assembly, Molecular Biology +19

Enhancing the Effectiveness of Virtual Screening by Fusing Nearest Neighbor Lists:  A Comparison of Similarity Coefficients

Martin Whittle, Valerie J. Gillet, Peter Willett et al. · Journal of Chemical Information and Computer Sciences · 2004 · 109 citations

Engineering, Hit Identification, Various Similarity Coefficients +27

BLEEP?potential of mean force describing protein-ligand interactions: II. Calculation of binding energies and comparison with experimental data

John B. O. Mitchell, Roman A. Laskowski, Alexander Alex et al. · Journal of Computational Chemistry · 1999 · 98 citations

Protein Assembly, Molecular Biology, Mean Force +22

Thermodynamic Optimisation in Drug Discovery: A Case Study using Carbonic Anhydrase Inhibitors

Andrew D. Scott, Chris Phillips, Alexander Alex et al. · ChemMedChem · 2009 · 69 citations