Search alternatives:
proteins optimization » process optimization (Expand Search), routing optimization (Expand Search), property optimization (Expand Search)
driven optimization » design optimization (Expand Search), guided optimization (Expand Search), dose optimization (Expand Search)
based proteins » based protein (Expand Search), based proteomics (Expand Search), capsid proteins (Expand Search)
image driven » climate driven (Expand Search), wave driven (Expand Search), mapk driven (Expand Search)
less based » lens based (Expand Search), lemos based (Expand Search), degs based (Expand Search)
proteins optimization » process optimization (Expand Search), routing optimization (Expand Search), property optimization (Expand Search)
driven optimization » design optimization (Expand Search), guided optimization (Expand Search), dose optimization (Expand Search)
based proteins » based protein (Expand Search), based proteomics (Expand Search), capsid proteins (Expand Search)
image driven » climate driven (Expand Search), wave driven (Expand Search), mapk driven (Expand Search)
less based » lens based (Expand Search), lemos based (Expand Search), degs based (Expand Search)
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Comprehensive, Open-Source, and Automated Workflow for Multisite λ‑Dynamics in Lead Optimization
Published 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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Identification of <i>Bacillus</i> and <i>Yersinia</i> species and hoax agents by protein profiling using microfluidic capillary electrophoresis with peak detection algorithms
Published 2021“…In either scenario it is of high importance to rapidly and accurately identify any suspicious powder as hazardous or hoax. Protein profiling, using microfluidic capillary electrophoresis, provides a rapid (less than 40 minutes), reliable and field-based screening method.…”
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DataSheet1_Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an in vitro study.docx
Published 2024“…</p><p>Methods: We developed Quantum-assisted Fragment-based Automated Structure Generator (QFASG), a fully automated algorithm designed to construct ligands for a target protein using a library of molecular fragments. …”
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Thesis-RAMIS-Figs_Slides
Published 2024“…<br><br>Finally, although the developed concepts, ideas and algorithms have been developed for inverse problems in geostatistics, the results are applicable to a wide range of disciplines where similar sampling problems need to be faced, included but not limited to design of communication networks, optimal integration and communication of swarms of robots and drones, remote sensing.…”
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