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For the proteins determined by NMR with multiple structure models, only the first model was selected for pharmacophore generation.
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In this study, for optimal designs of composite sandwich structures under multiple structure cases, an optimization model is firstly established by involving both discrete and continuous variables meanwhile integrating all structural cases into a single problem formulation.
Other servers use a combination of multiple structure prediction techniques including consensus method, multiple-template modeling, template-free modeling and model refinement.
Additionally, practical structures like solar arrays are required to satisfy given constraints under multiple structure cases, which involve multiple finite element models and make the problem more complicated.
The Piwi mid domain multiple sequence alignment allows building and evaluation of homology-based structure models for Ago2.
Step-wise nonlinear multiple regression revealed that structure model index (SMI) and volume fraction (BV/TV) were significant predictors of these reductions in strength (R2 = 0.83, p < 0.03).
Abundant protein sequence databases and new powerful tools such as advanced computational structure modeling, multiple sequence analysis, and in vitro evolution have made it possible to understand the detailed reaction mechanisms of various ATs and to isolate and design novel enzymes for unnatural substrates.
Homology models were retrieved from Protein Model Portal (PMP) [ 30] repository, or were built manually by joining multiple structures into a single model of a protein.
To do so, we systematically model multiple structures according to a robust design of experiments and simulate such structures under two different market demand scenarios.
As template-based methods are most efficient for protein 3D structure modeling, combining multiple threading alignment information should increase the accuracy and reliability of computational domain predictions.
The decoupled multiple model structure allows obtaining a dynamical model for the soft sensor despite the presence of practical constraints related to multi-rate sampling problem.
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