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Dejan Vinković

Science and Society Synergy Institute
Bana Jospia Jelacica 22B
40000 Cakovec, Croatia
e-mail: dejan_at_iszd.hr
Solvent Accessible Molecular Surfaces
Completed Project
Latest update: August 10, 2004
Solvent accessible surface of a molecule.
The most appropriate representation of molecular surfaces in many (bio)chemical applications is a continuous envelope in contact with the atoms that are accessible to solvent. In cooperation with the Research Institute of PLIVA, pharmaceutical company, I developed a code RAYCUB for analytical calculation and visualization of this surface based on the improved algorithm described by Connolly,M.L. J.Appl.Cryst. 1983,16,548-558. The code has been successfully applied in their research studies, as well as several other research groups. For that work, I received the Rector's Prize for one of the best student projects in 1994 at the University of Zagreb.
Geometrical components of a solvent accessible molecular surface.