Peter Adams, Brannon Batson, Alistair Bell, Jhanvi Bhatt, J. A. Butts, Timothy Correia, B. Edwards, Peter Feldmann, Christopher H. Fenton, Anthony Forte, Joseph Gagliardo, Gennette Gill, M. Gorlatova, Brian Greskamp, J. P. Grossman, Jeremy Hunt, B. Jackson, Mollie M. Kirk, J. Kuskin, Roy Mader, R. McGowen, Adam McLaughlin, Mark A. Moraes, Mohamed Nasr, Lawrence J. Nociolo, Lief O'Donnell, A. Parker, Jon L. Peticolas, Terry Quan, T. C. Schwink, Keun Sup Shim, Naseer Siddique, Jochen Spengler, M. Theobald, Brian Towles, Williams Vick, Stanley C. Wang, M. Wazlowski, Madeleine J. Weingarten, J. Williams, David E.Shaw
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引用次数: 0
Abstract
• Understand biomolecular systems through their motions •Numerical integration of Newton's laws of motion — Model atoms as point masses — Compute forces on every atom based on current positions — Update atom velocities and positions in discrete time steps of a few femtoseconds • Force computation described by a model: the force field
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