Showing 1 - 20 results of 42 for search '(( primary data code optimization algorithm ) OR ( library based protein optimization algorithm ))', query time: 0.60s Refine Results
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    RosettaAMRLD: A Reaction-Driven Approach for Structure-Based Drug Design from Combinatorial Libraries with Monte Carlo Metropolis Algorithms by Yidan Tang (6623693)

    Published 2025
    “…By leveraging combinatorial ultralarge libraries, RosettaAMRLD ensures synthetic accessibility, optimizing protein–ligand interactions while efficiently sampling accessible chemical space. …”
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    Table_1_Screening of Long Non-coding RNAs Biomarkers for the Diagnosis of Tuberculosis and Preliminary Construction of a Clinical Diagnosis Model.docx by Juli Chen (12187358)

    Published 2022
    “…Background<p>Pathogenic testing for tuberculosis (TB) is not yet sufficient for early and differential clinical diagnosis; thus, we investigated the potential of screening long non-coding RNAs (lncRNAs) from human hosts and using machine learning (ML) algorithms combined with electronic health record (EHR) metrics to construct a diagnostic model.…”
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    Optimal 8-mer and 9-mer SARS-CoV-2 epitope identification. by Mariah Hassert (5746874)

    Published 2020
    “…Peptide sequences are named based on the protein they are contained within, followed by the number of the first amino acid residue of the peptide in the context of the full protein, to the last amino acid residue. potential optimal 8-mer or 9-mer CD8+ T cell epitopes were predicted. …”
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    ECE6379_PSOM.zip by Xingpeng Li (11825663)

    Published 2021
    “…Optimization algorithms that are commonly used to solve these problems will also be covered including linear programming, mixed-integer linear programming, Lagrange relaxation, dynamic programming, branch and bound, and duality theory.…”
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    Distribution of Bound Conformations in Conformational Ensembles for X‑ray Ligands Predicted by the ANI-2X Machine Learning Potential by Fengyang Han (14613218)

    Published 2023
    “…This information is useful to guide the construction of libraries for shape-based virtual screening and to improve the docking algorithm to efficiently sample bound conformations.…”
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    Distribution of Bound Conformations in Conformational Ensembles for X‑ray Ligands Predicted by the ANI-2X Machine Learning Potential by Fengyang Han (14613218)

    Published 2023
    “…This information is useful to guide the construction of libraries for shape-based virtual screening and to improve the docking algorithm to efficiently sample bound conformations.…”
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