Chapter

Computational Methods for Macromolecules: Challenges and Applications

Volume 24 of the series Lecture Notes in Computational Science and Engineering pp 31-60

Mathematics and Molecular Neurobiology

  • Nathan A. BakerAffiliated withHoward Hughes Medical Institute, Department of Chemistry and Biochemistry, and Department of Pharmacology, University of California
  • , Kaihsu TaiAffiliated withHoward Hughes Medical Institute, Department of Chemistry and Biochemistry, and Department of Pharmacology, University of California
  • , Richard HenchmanAffiliated withHoward Hughes Medical Institute, Department of Chemistry and Biochemistry, and Department of Pharmacology, University of California
  • , David SeptAffiliated withHoward Hughes Medical Institute, Department of Chemistry and Biochemistry, and Department of Pharmacology, University of California
  • , Adrian ElcockAffiliated withDepartment of Biochemistry, University of Iowa
  • , Michael HolstAffiliated withDepartment of Mathematics, University of California
  • , J. Andrew McCammonAffiliated withHoward Hughes Medical Institute, Department of Chemistry and Biochemistry, and Department of Pharmacology, University of California

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Abstract

Advances in mathematics and computer technology, together with advances in structural biology, are opening the way to detailed modeling of biology at the molecular and cellular levels. One objective of such studies is the development of a more complete understanding of biological systems, including the emergence of behavior at the cellular level from that at the molecular level. Another objective is the development of more sophisticated models for structure-aided discovery of new pharmaceuticals.