Michael Levitt

Michael Levitt is a British-American biophysicist who shared the 2013 Nobel Prize in Chemistry for developing multiscale models of complex chemical systems.

Martin Karplus: Martin Karplus is a theoretical chemist who shared the 2013 Nobel Prize in Chemistry for multiscale models of chemical systems. Karplus shared the Nobel Prize with Levitt and Arieh Warshel for related modeling advances.
Hybrid QM/MM: Hybrid QM/MM methods treat selected atoms with quantum mechanics and the surrounding system with molecular mechanics. This framework exemplifies the multiscale modeling approach recognized by Levitt’s Nobel Prize.
Protein structure: Protein structure is the three-dimensional arrangement of atoms in a protein, organized across several levels. Levitt’s computational biology centered on representing and predicting protein structures.
Protein structure prediction: Protein structure prediction estimates a protein’s three-dimensional structure from its amino-acid sequence. Levitt’s early prediction methods helped define computational approaches to the structure problem.
Arieh Warshel: Arieh Warshel is a chemist who shared the 2013 Nobel Prize in Chemistry for computational models of chemical reactions. Warshel collaborated with Levitt on combining quantum and classical descriptions of molecules.
Molecular mechanics: Molecular mechanics models molecular energies and motions using classical force fields. Levitt’s multiscale strategy relied on classical descriptions for parts too large for quantum treatment.
X-ray crystallography: X-ray crystallography determines atomic structures by analyzing how crystals diffract X-rays. Experimental crystal structures provided key data for Levitt’s modeling and structure comparisons.
CASP: CASP is a recurring international experiment that evaluates protein-structure prediction using withheld structures. Levitt and John Moult helped launch this benchmark to compare predictions with newly solved structures.
Cyrus Levinthal: Cyrus Levinthal was an American molecular biologist whose work shaped early thinking about protein folding and computation. Levitt’s early protein-folding simulations addressed the computational puzzle highlighted by Levinthal.
Quantum chemistry: Quantum chemistry applies quantum mechanics to explain molecular structure, bonding, and reactions. The quantum description supplies chemical accuracy for the reactive region in multiscale models.

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