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PubPharm (41)
1
Clustering Protein Binding Pockets and Identifying Potential Drug Interactions: A Novel Ligand-based Featurization Method
enthalten in:
bioRxiv.org
| 2024
von
Stevenson, G.
|
Kirshner, D.
|
Bennion, B.
| +11
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2
Generative Molecular Design and Experimental Validation of Selective Histamine H1 Inhibitors
enthalten in:
bioRxiv.org
| 2023
von
McLoughlin, K.
|
Shi, D.
|
Mast, J.
| +13
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3
Clustering Protein Binding Pockets and Identifying Potential Drug Interactions : A Novel Ligand-Based Featurization Method
enthalten in:
Journal of chemical information and modeling
| 2023
von
Stevenson, G.
|
Kirshner, D.
|
Bennion, B.
| +11
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4
Advances in Computational Approaches for Estimating Passive Permeability in Drug Discovery
enthalten in:
Membranes
| 2023
von
Bernardi, A.
|
Bennett, W.
|
He, S.
| +4
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5
OFraMP : a fragment-based tool to facilitate the parametrization of large molecules
enthalten in:
Journal of computer-aided molecular design
| 2023
von
Stroet, M.
|
Caron, B.
|
Engler, M.
| +14
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6
OFraMP: a fragment-based tool to facilitate the parametrization of large molecules
enthalten in:
Journal of computer aided molecular design
| 2023
von
Stroet, M.
|
Caron, B.
|
Engler, M.
| +14
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7
OFraMP: a fragment-based tool to facilitate the parametrization of large molecules
enthalten in:
Journal of computer aided molecular design
| 2023
von
Stroet, M.
|
Caron, B.
|
Engler, M.
| +14
Wird geladen...
8
OFraMP: a fragment-based tool to facilitate the parametrization of large molecules
enthalten in:
Journal of computer aided molecular design
| 2023
von
Stroet, M.
|
Caron, B.
|
Engler, M.
| +14
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9
Evaluating point-prediction uncertainties in neural networks for protein-ligand binding prediction
enthalten in:
Artificial intelligence chemistry
| 2023
von
Fan, Y.
|
Allen, J.
|
McLoughlin, K.
| +4
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10
Evaluating Point-Prediction Uncertainties in Neural Networks for Drug Discovery
enthalten in:
arXiv.org
| 2022
von
Fan, Y.
|
Allen, J.
|
McLoughlin, K.
| +4
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Acetylcholinesterase
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EC 3.1.1.7
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6
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6
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4
8W8T17847W
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Automated topology builder
4
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4
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4
FLD0K1SJ1A
4
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4
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4
Molecular fragments
4
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2020-
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2010-2019
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2000-2009
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