D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
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Binding pose and affinity prediction in the 2016 D3R Grand Challenge 2 using the Wilma-SIE method.Quantum Chemical Approaches in Structure-Based Virtual Screening and Lead Optimization.Assessing the stability of free-energy perturbation calculations by performing variations in the method.Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges
P2860
D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
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2017 nî lūn-bûn
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2017年の論文
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2017年学术文章
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2017年学术文章
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2017年学术文章
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2017年学术文章
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2017年学术文章
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2017年學術文章
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name
D3R Grand Challenge 2: blind p ...... elative binding free energies.
@en
D3R Grand Challenge 2: blind p ...... elative binding free energies.
@nl
type
label
D3R Grand Challenge 2: blind p ...... elative binding free energies.
@en
D3R Grand Challenge 2: blind p ...... elative binding free energies.
@nl
prefLabel
D3R Grand Challenge 2: blind p ...... elative binding free energies.
@en
D3R Grand Challenge 2: blind p ...... elative binding free energies.
@nl
P2093
P2860
P1476
D3R Grand Challenge 2: blind p ...... elative binding free energies.
@en
P2093
Bernd Kuhn
Huanwang Yang
Markus G Rudolph
Michael Chiu
Michael K Gilson
Rommie E Amaro
Stephen K Burley
Symon Gathiaka
Victoria A Feher
P2860
P2888
P356
10.1007/S10822-017-0088-4
P577
2017-12-04T00:00:00Z