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Incorporating explicit water molecules and ligand conformation stability in machine-learning scoring functions

J Lu, X Hou, C Wang, Y Zhang - Journal of chemical information …, 2019 - ACS Publications

Structure-based drug design is critically dependent on accuracy of molecular docking
scoring functions, and there is of significant interest to advance scoring functions with …

被引用次数：79 相关文章

[引用][C] Incorporating Explicit Water Molecules and Ligand Conformation Stability in Machine-Learning Scoring Functions

J Lu, X Hou, C Wang, Y Zhang - Journal of Chemical Information and …, 2019 - cir.nii.ac.jp

Incorporating Explicit Water Molecules and Ligand Conformation Stability in Machine-Learning
Scoring Functions | CiNii Research CiNii 国立情報学研究所学術情報ナビゲータ[サイニィ] 詳細へ …

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[HTML][HTML] Incorporating Explicit Water Molecules and Ligand Conformation Stability in Machine-Learning Scoring Functions

J Lu, X Hou, C Wang, Y Zhang - Journal of chemical information …, 2019 - ncbi.nlm.nih.gov

Abstract Structure-based drug design is critically dependent on accuracy of molecular
docking scoring functions, and there is of significant interest to advance scoring functions …

Incorporating explicit water molecules and ligand conformation stability in machine-learning scoring functions

[引用][C] Incorporating Explicit Water Molecules and Ligand Conformation Stability in Machine-Learning Scoring Functions

[HTML][HTML] Incorporating Explicit Water Molecules and Ligand Conformation Stability in Machine-Learning Scoring Functions

Incorporating Explicit Water Molecules and Ligand Conformation Stability in Machine-Learning Scoring Functions.

Incorporating Explicit Water Molecules and Ligand Conformation Stability in Machine-Learning Scoring Functions

Incorporating Explicit Water Molecules and Ligand Conformation Stability in Machine-Learning Scoring Functions

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