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Peter's initial training was in quantum chemistry and his earliest research focused on hydrogen bonding phenomena. These studies, which showed the predictive power of computations when the experimental data were in dispute, provided a powerful theme for the rest of Peter's career--he always favored problems where the theoretical results could be directly tested by experimentation. He continued to study molecular structure and molecular interactions through more than 400 research papers and 50-plus reviews and chapters written throughout his career. The move to UCSF came at a critical time for computational chemistry. The molecules of biological interest were much more complex than the ones he had studied. He developed a two-pronged strategy that shaped much of the computer usage at UCSF. First, he obtained time on the largest computer facilities in the country. Second, he decided to move from pure quantum mechanics into the field of molecular mechanics. His laboratory developed the AMBER program for molecular mechanics and molecular dynamics simulations of macromolecular systems. The AMBER package is now used at over 1,000 academic and industrial laboratories.
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