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The top documents tagged [empirical force fields]
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CurrentStatusAMOEBA ForceField
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Annual Review of Physical Chemistry Volume 51 Issue 1 2000 [Doi 10.1146%2Fannurev.physchem.51.1.435] Cheatham III, Thomas E.; Kollman, Peter a. -- M OLECULAR D YNAMICS S IMULATION
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Chemistry 6440 / 7440 Molecular Mechanics. Resources Grant and Richards, Chapter 3 Leach, Chapter 3 Jensen, Chapter 2 Cramer, Chapter 2 Burkert and Allinger,
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Empirical energy function Summarizing some points about typical MM force field In principle, for a given new molecule, all force field parameters need
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SMA5233 Particle Methods and Molecular Dynamics Lecture 1: Introduction A/P Chen Yu Zong Tel: 6516-6877 Email:
[email protected]
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QM/MM Calculations and Applications to Biophysics Marcus Elstner Physical and Theoretical Chemistry, Technical University of Braunschweig
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