Prediction of protein structures, functions, and interactions

Single molecule dynamics in life science

Chemical processes with participation of biological and related compounds biophysical and -chemical aspects of porphyrins, pigments, drugs, biodegradable polymers and nanofibers

Molecular drug properties measurement and prediction

Genomic approaches for cross-species extrapolation in toxicology proceedings from the Workshop on Emerging Molecular and Computational Approaches for Cross-Species Extrapolations, 18-22 July 2004, Portland, Oregon, USA

Indwelling neural implants strategies for contending with the in vivo environment

Computational organic chemistry

Electronic, atomic and molecular calculations applying the generator coordinate method

Molecular modeling in heavy hydrocarbon conversions

In silico technologies in drug target identification and validation

In vivo MR techniques in drug discovery and development

Computational molecular evolution