Again the editor(s) felt that the time had come to solicit reviews on published and new viewpoints to document the state of the art of 3D QSAR in its broadest definition and to provide visions of where new techniques will emerge or new appli- tions may be found.

Ligand-Protein Interactions.- Progress in Force-Field Calculations of Molecular Interaction Fields and Intermolecular Interactions.- Comparative Binding Energy Analysis.- Receptor-Based Prediction of Binding Affinities.- A Priori Prediction of Ligand Affinity by Energy Minimization.- Rapid Estimation of Relative Binding Affinities of Enzyme Inhibitors.- Binding Affinities and Non-Bonded Interaction Energies.- Molecular Mechanics Calculations on Protein-Ligand Complexes.- Quantum Chemical Models and Molecular Dynamics Simulations.- Some Biological Applications of Semiempirical MO Theory.- Density-Functional Theory and Molecular Dynamics: A New Perspective for Simulations of Biological Systems.- Density-Functional Theory Investigations of Enzyme-substrate Interactions.- Molecular Dynamics Simulations: A Tool for Drug Design.- Pharmacophore Modelling and Molecular Similarity.- Bioisosterism and Molecular Diversity.- Similarity and Dissimilarity: A Medicinal Chemist’s View.- Pharmacophore Modelling: Methods,Experimental Verification and Applications.- The Use of Self-organizing Neural Networks in Drug Design.- Calculation of Structural Similarity by the Alignment of Molecular Electrostatic Potentials.- Explicit Calculation of 3D Molecular Similarity.- Novel Software Tools for Chemical Diversity.- New 3D Molecular Descriptors: The WHIM theory and QSAR Applications.- EVA: A Novel Theoretical Descriptor for QSAR Studies.

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