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An expectation maximization style algorithm is designed to optimize multiple energy terms alternatively until convergence.
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Common strategies include adding additional factors to account for solvation and entropic effects (71), deriving more accurate energy terms by high-level quantum calculations (78), and consensus scoring by combination of multiple scoring functions (79, 80).
MWCNTs have multiple energy and structural applications.
and a sum of energy terms (28).
It is the sum of three energy terms: Van der Waals energy, electrostatic energy and solvent polarized energy.
There are four energy terms in the model.
certain energy terms.
When all energy terms [including δ(HF)] are put together, we obtain the total binding energy.
All models were energy minimized by conjugate gradient minimization with no experimental energy terms in CNS.
The energy model consists of an external or image energy term, and two internal energy terms that constrain the backbone curve to be smooth and succinct.
alongside the classical potential energy term.
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