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5. Cyclic Carbon Polyynes

12. A Branch and Bound Algorithm for Matching Protein Structures

38. Contributory presentations/posters

41. Ligand-based virtual screening interface between PyMOL and LiSiCA

42. Role of magnesium ions in the reaction mechanism at the interface between Tm1631 protein and its DNA ligand

43. Identification of Conserved Water Sites in Protein Structures for Drug Design

44. Interactions of Indomethacin with Functionalized Rhombellanes -- a Molecular Docking Study.

48. Molecular dynamics integration and molecular vibrational theory. I. New symplectic integrators.

49. Molecular dynamics integration and molecular vibrational theory. III. The infrared spectrum of water.

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