Showing 1 - 20 results of 209 for search '(( library based method optimization algorithm ) OR ( binary data design optimization algorithm ))', query time: 0.34s Refine Results
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    A Practical Algorithm to Solve the Near-Congruence Problem for Rigid Molecules and Clusters by José Manuel Vásquez-Pérez (12843737)

    Published 2023
    “…The Fortran implementation of the algorithm is available as an open source library (https://github.com/qcuaeh/molalignlib) and is suitable to be used in global optimization methods for the identification of local minima or basins.…”
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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
    “…The Rosetta automated Monte Carlo reaction-based ligand design (RosettaAMRLD) integrates a Monte Carlo Metropolis (MCM) algorithm and reaction-driven molecule proposal to enhance structure-based <i>de novo</i> drug discovery. …”