Improving protein-ligand docking results with high-throughput molecular dynamics simulations

H Guterres, W Im - Journal of chemical information and modeling, 2020 - ACS Publications
Structure-based virtual screening relies on classical scoring functions that often fail to
reliably discriminate binders from nonbinders. In this work, we present a high-throughput …
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[引用][C] Improving Protein-Ligand Docking Results with High-Throughput Molecular Dynamics Simulations

H Guterres, W Im - Journal of Chemical Information and Modeling, 2020 - cir.nii.ac.jp
Improving Protein-Ligand Docking Results with High-Throughput Molecular Dynamics
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[HTML][HTML] Improving Protein-Ligand Docking Results with High-Throughput Molecular Dynamics Simulations

H Guterres, W Im - Journal of chemical information and modeling, 2020 - ncbi.nlm.nih.gov
Abstract Structure-based virtual screening (SBVS) relies on classical scoring functions that
often fail to reliably discriminate binders from non-binders. In this work, we present a high …

Improving Protein-Ligand Docking Results with High-Throughput Molecular Dynamics Simulations

H Guterres, W Im - Journal of chemical information and …, 2020 - pubmed.ncbi.nlm.nih.gov
Structure-based virtual screening relies on classical scoring functions that often fail to
reliably discriminate binders from nonbinders. In this work, we present a high-throughput …

Improving Protein-Ligand Docking Results with High-Throughput Molecular Dynamics Simulations.

H Guterres, W Im - Journal of Chemical Information and Modeling, 2020 - europepmc.org
Abstract Structure-based virtual screening (SBVS) relies on classical scoring functions that
often fail to reliably discriminate binders from non-binders. In this work, we present a high …