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Molecular generative model based on conditional variational autoencoder for de novo molecular design

Journal of cheminformatics, 2018-07, Vol.10 (1), p.31-9, Article 31

2018

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Supersampling method for efficient grid-based electronic structure calculations

The Journal of chemical physics, 2016-03, Vol.144 (9), p.094101-094101

2016

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A Bayesian graph convolutional network for reliable prediction of molecular properties with uncertainty quantification

Chemical science (Cambridge), 2019-09, Vol.1 (36), p.8438-8446

2019

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Predicting Drug–Target Interaction Using a Novel Graph Neural Network with 3D Structure-Embedded Graph Representation

Journal of chemical information and modeling, 2019-09, Vol.59 (9), p.3981-3988

2019

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Molecular Generative Model Based on an Adversarially Regularized Autoencoder

Journal of chemical information and modeling, 2020-01, Vol.60 (1), p.29-36

2020

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GalaxyDock-DL: Protein-Ligand Docking by Global Optimization and Neural Network Energy

Journal of chemical theory and computation, 2024-08, Vol.20 (16), p.7370

2024

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A Bayesian graph convolutional network for reliable prediction of molecular properties with uncertainty quantification† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c9sc01992h

Chemical science (Cambridge), 2019-07, Vol.10 (36), p.8438-8446

2019

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Comprehensive Study on Molecular Supervised Learning with Graph Neural Networks

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.5936-5945

2020

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Effects of the locality of a potential derived from hybrid density functionals on Kohn-Sham orbitals and excited states

Physical chemistry chemical physics : PCCP, 2017-04, Vol.19 (15), p.10177-10186

2017

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Effects of the locality of a potential derived from hybrid density functionals on Kohn-Sham orbitals and excited statesElectronic supplementary information (ESI) available: The atomization energy calculation result; excitation energy calculation results (orbital energy gap and TDDFT) from PBE0KLI, PBE0HF, and BH&H (KLI) for the Caricato set. See DOI: 10.1039/c7cp00704c

2017-04

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Update to ACE-molecule: Projector augmented wave method on lagrange-sinc basis set

International journal of quantum chemistry, 2016-04, Vol.116 (8), p.644-650

2016

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New virulence factor CSK29544_02616 as LpxA binding partner in Cronobacter sakazakii

Scientific reports, 2018-01, Vol.8 (1), p.835-12, Article 835

2018

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Precision Phage Cocktail Targeting Surface Appendages for Biocontrol of Salmonella in Cold-Stored Foods

Antibiotics (Basel), 2024-08, Vol.13 (9), p.799

2024

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Plasmid-encoded MCP is involved in virulence, motility, and biofilm formation of Cronobacter sakazakii ATCC 29544

Infection and immunity, 2015-01, Vol.83 (1), p.197-204

2015

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Hfq plays important roles in virulence and stress adaptation in Cronobacter sakazakii ATCC 29544

Infection and immunity, 2015-05, Vol.83 (5), p.2089-2098

2015

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The complete genome sequence of Cronobacter sakazakii ATCC 29544T, a food-borne pathogen, isolated from a child’s throat

Gut pathogens, 2017-01, Vol.9 (1), Article 2

2017

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The complete genome sequence of Cronobacter sakazakii ATCC 29544 T , a food-borne pathogen, isolated from a child's throat

Gut pathogens, 2017, Vol.9, p.2

2017

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The complete genome sequence of Cronobacter sakazakii ATCC 29544T, a food-borne pathogen, isolated from a child's throat

Gut pathogens, 2017, Vol.9, p.2-2

2017

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Molecular generative model based on conditional variational autoencoder for de novo molecular design

Supersampling method for efficient grid-based electronic structure calculations

A Bayesian graph convolutional network for reliable prediction of molecular properties with uncertainty quantification

Predicting Drug–Target Interaction Using a Novel Graph Neural Network with 3D Structure-Embedded Graph Representation

Molecular Generative Model Based on an Adversarially Regularized Autoencoder

GalaxyDock-DL: Protein-Ligand Docking by Global Optimization and Neural Network Energy

A Bayesian graph convolutional network for reliable prediction of molecular properties with uncertainty quantification† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c9sc01992h

Comprehensive Study on Molecular Supervised Learning with Graph Neural Networks

Effects of the locality of a potential derived from hybrid density functionals on Kohn-Sham orbitals and excited states

Update to ACE-molecule: Projector augmented wave method on lagrange-sinc basis set

New virulence factor CSK29544_02616 as LpxA binding partner in Cronobacter sakazakii

Precision Phage Cocktail Targeting Surface Appendages for Biocontrol of Salmonella in Cold-Stored Foods

Plasmid-encoded MCP is involved in virulence, motility, and biofilm formation of Cronobacter sakazakii ATCC 29544

Hfq plays important roles in virulence and stress adaptation in Cronobacter sakazakii ATCC 29544

The complete genome sequence of Cronobacter sakazakii ATCC 29544T, a food-borne pathogen, isolated from a child’s throat

The complete genome sequence of Cronobacter sakazakii ATCC 29544 T , a food-borne pathogen, isolated from a child's throat

The complete genome sequence of Cronobacter sakazakii ATCC 29544T, a food-borne pathogen, isolated from a child's throat

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