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FlexX uses an empirical function, while, for example, DSX uses a knowledge-based approach [ 7].
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We have therefore examined the growth kinetics using an empirical function for CNTs grown on three different substrates and derived the relevant activation energies based on the empirical function.
E N is estimated using an empirical function of per capita gross domestic product (GDP) that is based largely on protein consumption; this relationship was updated by Van Drecht et al. (2009) to use per-purchasing parity GDP (GDP ppp ) rather than market-exchange-rate GDP (GDP mer ) as originally formulated (Dumont et al., 2005; Van Drecht et al., 2003).
The RyRs are modeled using an empirical function, derived from Baylor [ 36]: (A.1) J ryr = ([ Ca ] SR − [ Ca ] Myo ) e − t / τ 2 ∗ CaMax ∗ (1 − e − t / τ 1 ) power 1.
Experimental standard molar volumes were correlated as a function of temperature and pressure using an empirical polynomial function.
The R1 STFs are modeled using the true earth model for the foreshock location, since we used an empirical Green Function approach.
Our method generates the most probable hydrogen positions on the basis of an optimal hydrogen bonding network using an empirical scoring function.
In this publication, we present a new pharmacophore-based docking program PharmDock that combines pose sampling and ranking based on optimized protein-based pharmacophore models with local optimization using an empirical scoring function.
In this study, we have identified residues that contribute significantly to the protein protein interaction (PPI) interface between the chains of outer membrane protein F (OmpF), a trimeric porin, using an empirical energy function in conjunction with an evolutionary analysis.
The hydrogen bonding pattern between the β-strands of the TtOmp85 barrel was predicted using an empirical energy function.
The calculation of the interaction energy value (in kT units) was performed as described using an empirical potential function TMSIP derived from a set of β-barrel membrane proteins.
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