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Predictive Multitask Deep Neural Network Models for ADME-Tox Properties: Learning from Large Data Sets

Journal of chemical information and modeling, 2019-03, Vol.59 (3), p.1253-1268

2019

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Targeting DnaN for tuberculosis therapy using novel griselimycins

Science (American Association for the Advancement of Science), 2015-06, Vol.348 (6239), p.1106-1112

2015

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Optimizing interactions to protein binding sites by integrating docking-scoring strategies into generative AI methods

Frontiers in chemistry, 2022-10, Vol.10, p.1012507-1012507

2022

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Molecular basis for inhibiting human glucose transporters by exofacial inhibitors

Nature communications, 2022-05, Vol.13 (1), p.2632-2632, Article 2632

2022

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Selecting Optimally Diverse Compounds from Structure Databases: A Validation Study of Two-Dimensional and Three-Dimensional Molecular Descriptors

Journal of medicinal chemistry, 1997-04, Vol.40 (8), p.1219-1229

Matter, Hans

1997

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Development of in silico filters to predict activation of the pregnane X receptor (PXR) by structurally diverse drug-like molecules

Bioorganic & medicinal chemistry, 2012-09, Vol.20 (18), p.5352-5365

2012

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Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors

Bioorganic & medicinal chemistry letters, 2010-11, Vol.20 (21), p.6268-6272

2010

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Effect of Storage Temperature on Allograft Bone

Transfusion medicine and hemotherapy, 2012-02, Vol.39 (1), p.36-40

2012

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Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-ray Crystallography

Journal of medicinal chemistry, 2005-07, Vol.48 (14), p.4511-4525

2005

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Influence of thermodisinfection and duration of cryopreservation at different temperatures on pull out strength of cancellous bone

Cell and tissue banking, 2015-03, Vol.16 (1), p.73-81

2015

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Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning

Journal of chemical information and modeling, 2023-09, Vol.63 (18), p.5709-5726

2023

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Nationwide Surveillance of Nasopharyngeal Streptococcus pneumoniae Isolates from Children with Respiratory Infection, Switzerland, 1998–1999

The Journal of infectious diseases, 2003-02, Vol.187 (4), p.589-596

2003

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Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy Simulations

Journal of chemical information and modeling, 2020-03, Vol.60 (3), p.1432-1444

2020

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Automated De Novo Design in Medicinal Chemistry: Which Types of Chemistry Does a Generative Neural Network Learn?

Journal of medicinal chemistry, 2020-08, Vol.63 (16), p.8809-8823

2020

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Interpretation of Structure–Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence

Journal of chemical information and modeling, 2022-02, Vol.62 (3), p.447-462

2022

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Characterizing hydration sites in protein-ligand complexes towards the design of novel ligands

Bioorganic & medicinal chemistry letters, 2018-08, Vol.28 (14), p.2343-2352

2018

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Affinity and Selectivity of Matrix Metalloproteinase Inhibitors: A Chemometrical Study from the Perspective of Ligands and Proteins

Journal of medicinal chemistry, 1999-11, Vol.42 (22), p.4506-4523

1999

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Custom chemical microarray production and affinity fingerprinting for the S1 pocket of factor VIIa

Analytical biochemistry, 2004-12, Vol.335 (1), p.50-57

2004

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Identification and Characterization of a Single High‐Affinity Fatty Acid Binding Site in Human Serum Albumin

Angewandte Chemie (International ed.), 2018-01, Vol.57 (4), p.1044-1048

International ed. in English, 2018

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Substrate specificity of the ileal and the hepatic Na(+)/bile acid cotransporters of the rabbit. II. A reliable 3D QSAR pharmacophore model for the ileal Na(+)/bile acid cotransporter

Journal of lipid research, 1999-12, Vol.40 (12), p.2158-2168

1999

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Beitrag zur Ökologie von Himantoglossum hircinum (Bocks-Riemenzunge) am Jurasüdfuss zwischen Biel und La Neuveville in den Jahren 2010-2020

Mitteilungen der Naturforschenden Gesellschaft in Bern, 2021, Vol.78, p.50

Matter, Hans

2021

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Resolving Binding Events on the Multifunctional Human Serum Albumin

ChemMedChem, 2020-05, Vol.15 (9), p.738-743

2020

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Using Graph Databases to Investigate Trends in Structure–Activity Relationship Networks

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.6120-6134

2020

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Cross-sectional survey on hantavirus seroprevalence in Canton St. Gallen, Switzerland

Swiss medical weekly, 2007-01, Vol.137 (1-2), p.21

2007

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Discovery, Structure Elucidation, and Biological Characterization of Nannocystin A, a Macrocyclic Myxobacterial Metabolite with Potent Antiproliferative Properties

Angewandte Chemie (International ed.), 2015-08, Vol.54 (35), p.10145-10148

2015

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Predictive Multitask Deep Neural Network Models for ADME-Tox Properties: Learning from Large Data Sets

Targeting DnaN for tuberculosis therapy using novel griselimycins

Optimizing interactions to protein binding sites by integrating docking-scoring strategies into generative AI methods

Molecular basis for inhibiting human glucose transporters by exofacial inhibitors

Selecting Optimally Diverse Compounds from Structure Databases: A Validation Study of Two-Dimensional and Three-Dimensional Molecular Descriptors

Development of in silico filters to predict activation of the pregnane X receptor (PXR) by structurally diverse drug-like molecules

Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors

Effect of Storage Temperature on Allograft Bone

Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-ray Crystallography

Influence of thermodisinfection and duration of cryopreservation at different temperatures on pull out strength of cancellous bone

Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning

Nationwide Surveillance of Nasopharyngeal Streptococcus pneumoniae Isolates from Children with Respiratory Infection, Switzerland, 1998–1999

Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy Simulations

Automated De Novo Design in Medicinal Chemistry: Which Types of Chemistry Does a Generative Neural Network Learn?

Interpretation of Structure–Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence

Characterizing hydration sites in protein-ligand complexes towards the design of novel ligands

Affinity and Selectivity of Matrix Metalloproteinase Inhibitors: A Chemometrical Study from the Perspective of Ligands and Proteins

Custom chemical microarray production and affinity fingerprinting for the S1 pocket of factor VIIa

Identification and Characterization of a Single High‐Affinity Fatty Acid Binding Site in Human Serum Albumin

Substrate specificity of the ileal and the hepatic Na(+)/bile acid cotransporters of the rabbit. II. A reliable 3D QSAR pharmacophore model for the ileal Na(+)/bile acid cotransporter

Beitrag zur Ökologie von Himantoglossum hircinum (Bocks-Riemenzunge) am Jurasüdfuss zwischen Biel und La Neuveville in den Jahren 2010-2020

Resolving Binding Events on the Multifunctional Human Serum Albumin

Using Graph Databases to Investigate Trends in Structure–Activity Relationship Networks

Cross-sectional survey on hantavirus seroprevalence in Canton St. Gallen, Switzerland

Discovery, Structure Elucidation, and Biological Characterization of Nannocystin A, a Macrocyclic Myxobacterial Metabolite with Potent Antiproliferative Properties

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