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MeshAndCollect: an automated multi-crystal data-collection workflow for synchrotron macromolecular crystallography beamlines
MeshAndCollect: an automated multi-crystal data-collection workflow for synchrotron macromolecular crystallography beamlines
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MeshAndCollect: an automated multi-crystal data-collection workflow for synchrotron macromolecular crystallography beamlines

Zander, Ulrich ; Bourenkov, Gleb ; Popov, Alexander N. ; de Sanctis, Daniele ; Svensson, Olof ; McCarthy, Andrew A. ; Round, Ekaterina ; Gordeliy, Valentin ; Mueller-Dieckmann, Christoph ; Leonard, Gordon A.

Acta crystallographica. Section D, Biological crystallography., 2015-11, Vol.71 (11), p.2328-2343 [Periódico revisado por pares]

5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of Crystallography

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Fast and precise single-cell data analysis using a hierarchical autoencoder
Fast and precise single-cell data analysis using a hierarchical autoencoder
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Fast and precise single-cell data analysis using a hierarchical autoencoder

Tran, Duc ; Nguyen, Hung ; Tran, Bang ; La Vecchia, Carlo ; Luu, Hung N ; Nguyen, Tin

Nature communications, 2021-02, Vol.12 (1), p.1029-1029, Article 1029 [Periódico revisado por pares]

England: Nature Publishing Group

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Visualization of very large high-dimensional data sets as minimum spanning trees
Visualization of very large high-dimensional data sets as minimum spanning trees
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Visualization of very large high-dimensional data sets as minimum spanning trees

Probst, Daniel ; Reymond, Jean-Louis

Journal of cheminformatics, 2020-02, Vol.12 (1), p.12-12, Article 12 [Periódico revisado por pares]

Cham: Springer International Publishing

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4
Revisiting the Rate-Limiting Step of the ANS-Protein Binding at the Protein Surface and Inside the Hydrophobic Cavity
Revisiting the Rate-Limiting Step of the ANS-Protein Binding at the Protein Surface and Inside the Hydrophobic Cavity
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Revisiting the Rate-Limiting Step of the ANS-Protein Binding at the Protein Surface and Inside the Hydrophobic Cavity

Ota, Chikashi ; Tanaka, Shun-Ichi ; Takano, Kazufumi

Molecules (Basel, Switzerland), 2021-01, Vol.26 (2), p.420 [Periódico revisado por pares]

Switzerland: MDPI AG

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5
Structural mechanism for nucleotide-driven remodeling of the AAA-ATPase unfoldase in the activated human 26S proteasome
Structural mechanism for nucleotide-driven remodeling of the AAA-ATPase unfoldase in the activated human 26S proteasome
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Structural mechanism for nucleotide-driven remodeling of the AAA-ATPase unfoldase in the activated human 26S proteasome

Zhu, Yanan ; Wang, Wei Li ; Yu, Daqi ; Ouyang, Qi ; Lu, Ying ; Mao, Youdong

Nature communications, 2018-04, Vol.9 (1), p.1360-12, Article 1360 [Periódico revisado por pares]

England: Nature Publishing Group

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6
StavroX—A Software for Analyzing Crosslinked Products in Protein Interaction Studies
StavroX—A Software for Analyzing Crosslinked Products in Protein Interaction Studies
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StavroX—A Software for Analyzing Crosslinked Products in Protein Interaction Studies

Götze, Michael ; Pettelkau, Jens ; Schaks, Sabine ; Bosse, Konstanze ; Ihling, Christian H. ; Krauth, Fabian ; Fritzsche, Romy ; Kühn, Uwe ; Sinz, Andrea

Journal of the American Society for Mass Spectrometry, 2012-01, Vol.23 (1), p.76-87 [Periódico revisado por pares]

New York: Springer-Verlag

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7
P2Rank: machine learning based tool for rapid and accurate prediction of ligand binding sites from protein structure
P2Rank: machine learning based tool for rapid and accurate prediction of ligand binding sites from protein structure
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P2Rank: machine learning based tool for rapid and accurate prediction of ligand binding sites from protein structure

Krivák, Radoslav ; Hoksza, David

Journal of cheminformatics, 2018-08, Vol.10 (1), p.39-12, Article 39 [Periódico revisado por pares]

Cham: Springer International Publishing

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8
PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments, and Partial Charges
PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments, and Partial Charges
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PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments, and Partial Charges

Unke, Oliver T ; Meuwly, Markus

Journal of chemical theory and computation, 2019-06, Vol.15 (6), p.3678-3693 [Periódico revisado por pares]

United States: American Chemical Society

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9
Comparison of modified Matyash method to conventional solvent systems for polar metabolite and lipid extractions
Comparison of modified Matyash method to conventional solvent systems for polar metabolite and lipid extractions
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Comparison of modified Matyash method to conventional solvent systems for polar metabolite and lipid extractions

Sostare, Jelena ; Di Guida, Riccardo ; Kirwan, Jennifer ; Chalal, Karnpreet ; Palmer, Elliott ; Dunn, Warwick B. ; Viant, Mark R.

Analytica chimica acta, 2018-12, Vol.1037, p.301-315 [Periódico revisado por pares]

Netherlands: Elsevier B.V

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10
Building attention and edge message passing neural networks for bioactivity and physical–chemical property prediction
Building attention and edge message passing neural networks for bioactivity and physical–chemical property prediction
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Building attention and edge message passing neural networks for bioactivity and physical–chemical property prediction

Withnall, M. ; Lindelöf, E. ; Engkvist, O. ; Chen, H.

Journal of cheminformatics, 2020-01, Vol.12 (1), p.1-1, Article 1 [Periódico revisado por pares]

Cham: Springer International Publishing

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