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Lennard-Jones Potential and Dummy Atom Settings to Overcome the AUTODOCK Limitation in Treating Flexible Ring Systems

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
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Automated docking to multiple target structures: Incorporation of protein mobility and structural water heterogeneity in AutoDock
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Protein–ligand docking: Current status and future challenges
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Automated Docking of Ligands to Antibodies: Methods and Applications
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Docking studies on glycoside hydrolase Family 47 endoplasmic reticulum α-(1→2)-mannosidase I to elucidate the pathway to the substrate transition state
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Simple, Intuitive Calculations of Free Energy of Binding for Protein−Ligand Complexes. 3. The Free Energy Contribution of Structural Water Molecules in HIV-1 Protease Complexes
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Modified AutoDock for accurate docking of protein kinase inhibitors
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Rational design of potent sialidase-based inhibitors of influenza virus replication
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Structure of the TDP- epi -vancosaminyltransferase GtfA from the chloroeremomycin biosynthetic pathway

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Lennard‐Jones Potential and Dummy Atom Settings to Overcome the AUTODOCK Limitation in Treating Flexible Ring Systems.
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