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Pharmacophore Models and Pharmacophore-Based Virtual Screening: Concepts and Applications Exemplified on Hydroxysteroid Dehydrogenases

Molecules (Basel, Switzerland), 2015-12, Vol.20 (12), p.22799-22832

2015

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Identification and characterization of plant-derived alkaloids, corydine and corydaline, as novel mu opioid receptor agonists

Scientific reports, 2020-08, Vol.10 (1), p.13804-13804, Article 13804

2020

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Impact of protein and small molecule interactions on kinase conformations

eLife, 2024-08, Vol.13

2024

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De novo CACAN1D Ca2+ channelopathies: clinical phenotypes and molecular mechanism

Pflügers Archiv, 2020-07, Vol.472 (7), p.755-773

2020

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A drug library screen identifies Carbenoxolone as novel FOXO inhibitor that overcomes FOXO3-mediated chemoprotection in high-stage neuroblastoma

Oncogene, 2020-01, Vol.39 (5), p.1080-1097

2020

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A systematic molecular and pharmacologic evaluation of AKT inhibitors reveals new insight into their biological activity

British journal of cancer, 2020-08, Vol.123 (4), p.542-555

2020

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Correction to: De novo CACNA1D Ca2+ channelopathies: clinical phenotypes and molecular mechanism

Pflügers Archiv, 2020-08, Vol.472 (8), p.1105-1105

2020

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Modulating FOXO3 transcriptional activity by small, DBD-binding molecules

eLife, 2019-12, Vol.8

2019

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Interference of Paraben Compounds with Estrogen Metabolism by Inhibition of 17β-Hydroxysteroid Dehydrogenases

International journal of molecular sciences, 2017-09, Vol.18 (9), p.2007

2017

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Protocol for predicting drug-resistant protein mutations to an ERK2 inhibitor using RESISTOR

STAR protocols, 2023-04, Vol.4 (2), p.102170-102170, Article 102170

2023

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Disruptor: Computational identification of oncogenic mutants disrupting protein-protein and protein-DNA interactions

Communications biology, 2023-07, Vol.6 (1), p.720-720, Article 720

2023

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Combining Mutational Signatures, Clonal Fitness, and Drug Affinity to Define Drug-Specific Resistance Mutations in Cancer

Cell chemical biology, 2018-11, Vol.25 (11), p.1359-1371.e2

2018

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Olanzapine: A potent agonist at the hM4D(Gi) DREADD amenable to clinical translation of chemogenetics

Science advances, 2019-04, Vol.5 (4), p.eaaw1567-eaaw1567

2019

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Functional Characterization of Spinocerebellar Ataxia Associated Dynorphin A Mutant Peptides

Biomedicines, 2021-12, Vol.9 (12), p.1882

2021

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Study of key residues in MERS-CoV and SARS-CoV-2 main proteases for resistance against clinically applied inhibitors nirmatrelvir and ensitrelvir

Npj Viruses, 2024-01, Vol.2 (1), p.23-20, Article 23

2024

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In Silico Predictions of Drug - Drug Interactions Caused by CYP1A2, 2C9 and 3A4 Inhibition - a Comparative Study of Virtual Screening Performance

Molecular informatics, 2015-06, Vol.34 (6-7), p.431-457

2015

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μ Opioid receptor: novel antagonists and structural modeling

Scientific reports, 2016-02, Vol.6 (1), p.21548, Article 21548

2016

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RESISTOR: A New OSPREY Module to Predict Resistance Mutations

Journal of computational biology, 2022-12, Vol.29 (12), p.1346-1352

2022

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Ca v 1.3-selective inhibitors of voltage-gated L-type Ca 2+ channels: Fact or (still) fiction?

British journal of pharmacology, 2023-05, Vol.180 (10), p.1289-1303

2023

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Cav1.3‐selective inhibitors of voltage‐gated L‐type Ca2+ channels: Fact or (still) fiction?

British journal of pharmacology, 2023-05, Vol.180 (10), p.1289-1303

2023

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Virtual screening applications in short-chain dehydrogenase/reductase research

The Journal of steroid biochemistry and molecular biology, 2017-07, Vol.171, p.157-177

2017

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A novel calcium channel Cavβ2 splice variant with unique properties predominates in the retina

The Journal of biological chemistry, 2023-04, Vol.299 (4), p.102972-102972, Article 102972

2023

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Development of heterodimeric estrogen receptor alpha antagonists to target simultaneously the ligand and coactivator binding site

Archiv der Pharmazie (Weinheim), 2023-07, Vol.356 (7), p.e2200638-n/a

2023

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Pharmacophore Models and Pharmacophore-Based Virtual Screening: Concepts and Applications Exemplified on Hydroxysteroid Dehydrogenases

Identification and characterization of plant-derived alkaloids, corydine and corydaline, as novel mu opioid receptor agonists

Impact of protein and small molecule interactions on kinase conformations

De novo CACAN1D Ca2+ channelopathies: clinical phenotypes and molecular mechanism

A drug library screen identifies Carbenoxolone as novel FOXO inhibitor that overcomes FOXO3-mediated chemoprotection in high-stage neuroblastoma

A systematic molecular and pharmacologic evaluation of AKT inhibitors reveals new insight into their biological activity

Correction to: De novo CACNA1D Ca2+ channelopathies: clinical phenotypes and molecular mechanism

Modulating FOXO3 transcriptional activity by small, DBD-binding molecules

Interference of Paraben Compounds with Estrogen Metabolism by Inhibition of 17β-Hydroxysteroid Dehydrogenases

De Novo Missense Substitutions in the Gene Encoding CDK8, a Regulator of the Mediator Complex, Cause a Syndromic Developmental Disorder

Protocol for predicting drug-resistant protein mutations to an ERK2 inhibitor using RESISTOR

Disruptor: Computational identification of oncogenic mutants disrupting protein-protein and protein-DNA interactions

Combining Mutational Signatures, Clonal Fitness, and Drug Affinity to Define Drug-Specific Resistance Mutations in Cancer

Olanzapine: A potent agonist at the hM4D(Gi) DREADD amenable to clinical translation of chemogenetics

Functional Characterization of Spinocerebellar Ataxia Associated Dynorphin A Mutant Peptides

Study of key residues in MERS-CoV and SARS-CoV-2 main proteases for resistance against clinically applied inhibitors nirmatrelvir and ensitrelvir

In Silico Predictions of Drug - Drug Interactions Caused by CYP1A2, 2C9 and 3A4 Inhibition - a Comparative Study of Virtual Screening Performance

Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action

μ Opioid receptor: novel antagonists and structural modeling

RESISTOR: A New OSPREY Module to Predict Resistance Mutations

Ca v 1.3-selective inhibitors of voltage-gated L-type Ca 2+ channels: Fact or (still) fiction?

Cav1.3‐selective inhibitors of voltage‐gated L‐type Ca2+ channels: Fact or (still) fiction?

Virtual screening applications in short-chain dehydrogenase/reductase research

A novel calcium channel Cavβ2 splice variant with unique properties predominates in the retina

Development of heterodimeric estrogen receptor alpha antagonists to target simultaneously the ligand and coactivator binding site

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