Parameterization of an empirical model for the prediction of -octanol, alkane and cyclohexane/water as well as brain/blood partition coefficients | 2 | 0.39 | 2009 |
Pattern recognition strategies for molecular surfaces: III. Binding site prediction with a neural network. | 15 | 1.47 | 2004 |
Parametrization strategy for the MolFESD concept: quantitative surface representation of local hydrophobicity. | 3 | 0.47 | 2003 |
Pattern recognition strategies for molecular surfaces. II. Surface complementarity. | 5 | 0.53 | 2002 |
Pattern recognition strategies for molecular surfaces. I. Pattern generation using fuzzy set theory. | 10 | 0.80 | 2002 |
Localization and quantification of hydrophobicity: the molecular free energy density (MolFESD) concept and its application to sweetness recognition. | 6 | 0.75 | 2000 |
Ewald summation versus direct summation of shifted-force potentials for the calculation of electrostatic interactions in solids: A quantitative study | 1 | 0.41 | 1997 |
Force field parameters for carbohydrates. | 13 | 1.69 | 1996 |
Theoretical investigations on 1, 2-ethanediol: The problem of intramolecular hydrogen bonds | 5 | 1.27 | 1996 |
Empirical-Method For The Quantification And Localization Of Molecular Hydrophobicity | 5 | 0.64 | 1994 |
Self-similarity of solvent-accessible surfaces of biological and synthetical macromolecules | 2 | 2.36 | 1993 |
Storage techniques and analysis tools founding a knowledge-based system for conformation prediction | 0 | 0.34 | 1993 |
A new approach to analysis and display of local lipophilicity/hydrophilicity mapped on molecular surfaces. | 23 | 1.81 | 1993 |
Fast generation of molecular surfaces from 3D data fields with an enhanced “marching cube” algorithm | 25 | 3.67 | 1993 |
Hausdorff dimension as a quantification of local roughness of protein surfaces. | 6 | 3.32 | 1992 |
Interaktive Computergraphik und Molekülmodellierung / Interactive Computer Graphics and Molecular Modelling. | 0 | 0.34 | 1991 |
Triangulation algorithms for the representation of molecular surface properties | 12 | 9.23 | 1990 |
Über den Einsatz graphischer "Workstations" für die "Man-Machine Communication" in der Chemie | 0 | 0.34 | 1989 |