بدائل البحث:
process optimization » model optimization (توسيع البحث)
complex optimization » convex optimization (توسيع البحث), whale optimization (توسيع البحث), wolf optimization (توسيع البحث)
binary damage » binary image (توسيع البحث), binary data (توسيع البحث)
based complex » layer complex (توسيع البحث)
less based » lens based (توسيع البحث), lemos based (توسيع البحث), degs based (توسيع البحث)
process optimization » model optimization (توسيع البحث)
complex optimization » convex optimization (توسيع البحث), whale optimization (توسيع البحث), wolf optimization (توسيع البحث)
binary damage » binary image (توسيع البحث), binary data (توسيع البحث)
based complex » layer complex (توسيع البحث)
less based » lens based (توسيع البحث), lemos based (توسيع البحث), degs based (توسيع البحث)
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Comprehensive, Open-Source, and Automated Workflow for Multisite λ‑Dynamics in Lead Optimization
منشور في 2024"…To address this challenge, we developed a comprehensive, open-source, and automated workflow for MSLD calculations based on the BLaDE dynamics engine. This workflow incorporates the Ligand Internal and Cartesian coordinate reconstruction-based alignment algorithm (LIC-align) and an optimized maximum common substructure (MCS) search algorithm to accurately generate MSLD multiple topologies with ideal perturbation patterns. …"
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