Molecular Simulations by Dr Martin Karplus - Science in the Age of Experience - Dassault Systèmes

Molecular Simulations by Dr Martin Karplus - Science in the Age of Experience - Dassault Systèmes. Learn more about this event: http://age-of-experience.3ds.com/scie...

Early in his career Karplus studied magnetic resonance spectroscopy; of particular interest was his theoretical analysis of nuclear spin-spin coupling constants. He made fundamental contributions to the theory of reactive collisions between small molecules based upon trajectory calculations. He was one of the first researchers to apply many-body perturbation theory to atomic and molecular systems. He has studied quantum mechanical processes in biological molecules, such as the bonding of oxygen to hemoglobin and the photochemistry of visual pigments. His more recent work has been concerned with the development of molecular dynamics and other simulation methods for the elucidation of the properties of proteins and nucleic acids. He is now studying enzymatic reactions, protein folding, and the function of biomolecular motors.

Over the years, Dr. Karplus has conducted research in many areas of theoretical chemistry and biochemistry and has presented his results in over 800 journal articles and book chapters, as well as two books. His primary interest has been to develop and employ theoretical methods for increasing our understanding of chemical and biological problems. His contributions have been instrumental in the transformation of theory from a specialized field to a central part of modern chemistry and more recently of structural biology.

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