Protein energy landscape exploration with structure-based models

Sridhar Neelamraju1, David J Wales2, Shachi Gosavi3

  • 1Simons Centre for the Study of Living Machines, National Centre for Biological Sciences, Bangalore 560 065, India; University Chemical Laboratories, Lensfield Road, Cambridge CB2 1EW, UK.

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Proteins are dynamic macromolecules that carry out a wide variety of essential processes; however, the activities of most proteins depend on their interactions with other molecules or ions, known as ligands.
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