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Insights into the Structure, Function, and Ligand Discovery of the Large Neutral Amino Acid Transporter 1, LAT1

International journal of molecular sciences, 2018-04, Vol.19 (5), p.1278

2018

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Prediction of drug–ABC-transporter interaction — Recent advances and future challenges

Advanced drug delivery reviews, 2015-06, Vol.86, p.17-26

2015

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Mesonic Low-Energy Constants

Annual review of nuclear and particle science, 2014-10, Vol.64 (1), p.149-174

2014

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In silico toxicology: From structure–activity relationships towards deep learning and adverse outcome pathways

Wiley interdisciplinary reviews. Computational molecular science, 2020-07, Vol.10 (4), p.e1475-n/a

2020

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A Structure-Based View on ABC-Transporter Linked to Multidrug Resistance

Molecules (Basel, Switzerland), 2023-01, Vol.28 (2), p.495

2023

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Ligand and Structure-Based Classification Models for Prediction of P‑Glycoprotein Inhibitors

Journal of chemical information and modeling, 2014-01, Vol.54 (1), p.218-229

2014

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Predicting Drug-Induced Cholestasis with the Help of Hepatic TransportersAn in Silico Modeling Approach

Journal of chemical information and modeling, 2017-03, Vol.57 (3), p.608-615

2017

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Predicting drug-induced liver injury: The importance of data curation

Toxicology (Amsterdam), 2017-08, Vol.389, p.139-145

2017

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Comparing the performance of meta-classifiers—a case study on selected imbalanced data sets relevant for prediction of liver toxicity

Journal of computer-aided molecular design, 2018-05, Vol.32 (5), p.583-590

2018

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Image Based Liver Toxicity Prediction

Journal of chemical information and modeling, 2020-03, Vol.60 (3), p.1111-1121

2020

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Discovery of Potent Inhibitors for the Large Neutral Amino Acid Transporter 1 (LAT1) by Structure-Based Methods

International journal of molecular sciences, 2018-12, Vol.20 (1), p.27

2018

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A structural model of the human serotonin transporter in an outward-occluded state

PloS one, 2019-06, Vol.14 (6), p.e0217377

2019

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Toxicity prediction using target, interactome, and pathway profiles as descriptors

Toxicology letters, 2023-05, Vol.381, p.20-26

2023

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Coexistence of passive and carrier-mediated processes in drug transport

Nature reviews. Drug discovery, 2010-08, Vol.9 (8), p.597-614

2010

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A widespread role for SLC transmembrane transporters in resistance to cytotoxic drugs

Nature chemical biology, 2020-04, Vol.16 (4), p.469-478

2020

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Privacy-preserving techniques for decentralized and secure machine learning in drug discovery

Drug discovery today, 2023-12, Vol.28 (12), p.103820-103820, Article 103820

2023

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Identifying Differences in the Performance of Machine Learning Models for Off-Targets Trained on Publicly Available and Proprietary Data Sets

Chemical research in toxicology, 2023-08, Vol.36 (8), p.1300-1312

2023

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Evaluation of the Success of High-Throughput Physiologically Based Pharmacokinetic (HT-PBPK) Modeling Predictions to Inform Early Drug Discovery

Molecular pharmaceutics, 2022-07, Vol.19 (7), p.2203-2216

2022

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Using Machine Learning Methods and Structural Alerts for Prediction of Mitochondrial Toxicity

Molecular informatics, 2020-05, Vol.39 (5), p.e2000005-n/a

2020

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Exhaustive sampling of docking poses reveals binding hypotheses for propafenone type inhibitors of P-glycoprotein

PLoS computational biology, 2011-05, Vol.7 (5), p.e1002036-e1002036

2011

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Wegbereiter der Subatomaren Physik: James Chadwick und Charles D. Ellis

Ecker, Gerhard

1. Aufl. 2022 edition., 2022

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Interspecies comparison of putative ligand binding sites of human, rat and mouse P-glycoprotein

European journal of pharmaceutical sciences, 2018-09, Vol.122, p.134-143

2018

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Translation Termination Factor GSPT1 Is a Phenotypically Relevant Off-Target of Heterobifunctional Phthalimide Degraders

ACS chemical biology, 2018-03, Vol.13 (3), p.553-560

2018

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Studies of structural determinants of substrate binding in the Creatine Transporter (CreaT, SLC6A8) using molecular models

Scientific reports, 2020-04, Vol.10 (1), p.6241-6241, Article 6241

2020

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Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1)

Scientific reports, 2019-10, Vol.9 (1), p.15061-20, Article 15061

2019

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Insights into the Structure, Function, and Ligand Discovery of the Large Neutral Amino Acid Transporter 1, LAT1

Prediction of drug–ABC-transporter interaction — Recent advances and future challenges

Mesonic Low-Energy Constants

In silico toxicology: From structure–activity relationships towards deep learning and adverse outcome pathways

A Structure-Based View on ABC-Transporter Linked to Multidrug Resistance

Ligand and Structure-Based Classification Models for Prediction of P‑Glycoprotein Inhibitors

Predicting Drug-Induced Cholestasis with the Help of Hepatic TransportersAn in Silico Modeling Approach

Predicting drug-induced liver injury: The importance of data curation

Comparing the performance of meta-classifiers—a case study on selected imbalanced data sets relevant for prediction of liver toxicity

Image Based Liver Toxicity Prediction

Discovery of Potent Inhibitors for the Large Neutral Amino Acid Transporter 1 (LAT1) by Structure-Based Methods

A structural model of the human serotonin transporter in an outward-occluded state

Toxicity prediction using target, interactome, and pathway profiles as descriptors

Coexistence of passive and carrier-mediated processes in drug transport

A widespread role for SLC transmembrane transporters in resistance to cytotoxic drugs

Privacy-preserving techniques for decentralized and secure machine learning in drug discovery

Identifying Differences in the Performance of Machine Learning Models for Off-Targets Trained on Publicly Available and Proprietary Data Sets

Evaluation of the Success of High-Throughput Physiologically Based Pharmacokinetic (HT-PBPK) Modeling Predictions to Inform Early Drug Discovery

Using Machine Learning Methods and Structural Alerts for Prediction of Mitochondrial Toxicity

Exhaustive sampling of docking poses reveals binding hypotheses for propafenone type inhibitors of P-glycoprotein

Wegbereiter der Subatomaren Physik: James Chadwick und Charles D. Ellis

Interspecies comparison of putative ligand binding sites of human, rat and mouse P-glycoprotein

Translation Termination Factor GSPT1 Is a Phenotypically Relevant Off-Target of Heterobifunctional Phthalimide Degraders

Studies of structural determinants of substrate binding in the Creatine Transporter (CreaT, SLC6A8) using molecular models

Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1)

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