Optimal strategies for virtual screening of induced-fit and flexible target in the 2015 D3R Grand Challenge
about
Improved pose and affinity predictions using different protocols tailored on the basis of data availability.A cross docking pipeline for improving pose prediction and virtual screening performance.Optimal affinity ranking for automated virtual screening validated in prospective D3R grand challenges.Lessons learned in induced fit docking and metadynamics in the Drug Design Data Resource Grand Challenge 2.Docking of small molecules to farnesoid X receptors using AutoDock Vina with the Convex-PL potential: lessons learned from D3R Grand Challenge 2.
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Optimal strategies for virtual screening of induced-fit and flexible target in the 2015 D3R Grand Challenge
description
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2016年の論文
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name
Optimal strategies for virtual ...... n the 2015 D3R Grand Challenge
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Optimal strategies for virtual ...... n the 2015 D3R Grand Challenge
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type
label
Optimal strategies for virtual ...... n the 2015 D3R Grand Challenge
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Optimal strategies for virtual ...... n the 2015 D3R Grand Challenge
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prefLabel
Optimal strategies for virtual ...... n the 2015 D3R Grand Challenge
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Optimal strategies for virtual ...... n the 2015 D3R Grand Challenge
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P2093
P2860
P1476
Optimal strategies for virtual ...... n the 2015 D3R Grand Challenge
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P2093
Bentley M Wingert
Carlos J Camacho
Zhaofeng Ye
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P2888
P304
P356
10.1007/S10822-016-9941-0
P577
2016-08-29T00:00:00Z