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KinMap: a web-based tool for interactive navigation through human kinome data

BMC bioinformatics, 2017-01, Vol.18 (1), p.16-16, Article 16

2017

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Profiling Prediction of Kinase Inhibitors: Toward the Virtual Assay

Journal of medicinal chemistry, 2017-01, Vol.60 (1), p.474-485

2017

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Kinome‐Wide Profiling Prediction of Small Molecules

ChemMedChem, 2018-03, Vol.13 (6), p.495-499

2018

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Statics of the Ribosomal Exit Tunnel: Implications for Cotranslational Peptide Folding, Elongation Regulation, and Antibiotics Binding

Journal of molecular biology, 2009-03, Vol.387 (2), p.502-517

2009

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Identification and Visualization of Kinase-Specific Subpockets

Journal of chemical information and modeling, 2016-02, Vol.56 (2), p.335-346

2016

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Pocketome of Human Kinases: Prioritizing the ATP Binding Sites of (Yet) Untapped Protein Kinases for Drug Discovery

Journal of chemical information and modeling, 2015-03, Vol.55 (3), p.538-549

2015

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Mol2vec: Unsupervised Machine Learning Approach with Chemical Intuition

Journal of chemical information and modeling, 2018-01, Vol.58 (1), p.27-35

2018

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A validated antibody panel for the characterization of tau post-translational modifications

Molecular neurodegeneration, 2017-11, Vol.12 (1), p.87-87, Article 87

2017

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Molecular recognition of RNA: challenges for modelling interactions and plasticity

Journal of molecular recognition, 2010-03, Vol.23 (2), p.220-231

2010

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Constraint counting on RNA and ribosomal structures: linking flexibility and function

Journal of cheminformatics, 2011-04, Vol.3 (Suppl 1), p.O11-O11, Article O11

2011

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Modeling conformational flexibility of kinases in inactive states

Proteins, structure, function, and bioinformatics, 2019-11, Vol.87 (11), p.943-951

2019

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Analyzing the Flexibility of RNA Structures by Constraint Counting

Biophysical journal, 2008-06, Vol.94 (11), p.4202-4219

2008

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Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound Optimization

Journal of chemical information and modeling, 2017-12, Vol.57 (12), p.3079-3085

2017

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Constraint counting on RNA structures: Linking flexibility and function

Methods (San Diego, Calif.), 2009-10, Vol.49 (2), p.181-188

2009

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Development of Cagrilintide, a Long-Acting Amylin Analogue

Journal of medicinal chemistry, 2021-08, Vol.64 (15), p.11183-11194

2021

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Assessment of a probabilistic framework for combining structure- and ligand-based virtual screening

Journal of cheminformatics, 2012-05, Vol.4 (Suppl 1), p.P7-P7, Article P7

2012

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Complex long-distance effects of mutations that confer linezolid resistance in the large ribosomal subunit

Nucleic acids research, 2015-09, Vol.43 (16), p.7731-7743

2015

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Putative histidine kinase inhibitors with antibacterial effect against multi-drug resistant clinical isolates identified by in vitro and in silico screens

Scientific reports, 2016-05, Vol.6 (1), p.26085-26085, Article 26085

2016

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Failure of the IDA in FRET Systems at Close Inter-Dye Distances Is Moderated by Frequent Low κ(2) Values

The journal of physical chemistry. B, 2016-09, Vol.120 (34), p.8845-8862

2016

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Failure of the IDA in FRET Systems at Close Inter-Dye Distances Is Moderated by Frequent Low κ 2 Values

The journal of physical chemistry. B, 2016-09, Vol.120 (34), p.8845-8862

2016

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Failure of the IDA in FRET Systems at Close Inter-Dye Distances Is Moderated by Frequent Low Kappa super(2) Values

The journal of physical chemistry. B, 2016-09, Vol.120 (34), p.8845-8862

2016

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HIV-1 TAR RNA Spontaneously Undergoes Relevant Apo-to-Holo Conformational Transitions in Molecular Dynamics and Constrained Geometrical Simulations

Journal of chemical information and modeling, 2010-08, Vol.50 (8), p.1489-1501

2010

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Determinants of the species selectivity of oxazolidinone antibiotics targeting the large ribosomal subunit

Biological chemistry, 2013-11, Vol.394 (11), p.1529-1541

2013

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Substrate derived peptidic α-ketoamides as inhibitors of the malarial protease PfSUB1

Bioorganic & medicinal chemistry letters, 2014-09, Vol.24 (18), p.4486-4489

2014

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Molecular Representations in Machine-Learning-Based Prediction of PK Parameters for Insulin Analogs

ACS omega, 2023-07, Vol.8 (26), p.23566-23578

2023

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KinMap: a web-based tool for interactive navigation through human kinome data

Profiling Prediction of Kinase Inhibitors: Toward the Virtual Assay

Kinome‐Wide Profiling Prediction of Small Molecules

Statics of the Ribosomal Exit Tunnel: Implications for Cotranslational Peptide Folding, Elongation Regulation, and Antibiotics Binding

Identification and Visualization of Kinase-Specific Subpockets

Pocketome of Human Kinases: Prioritizing the ATP Binding Sites of (Yet) Untapped Protein Kinases for Drug Discovery

Mol2vec: Unsupervised Machine Learning Approach with Chemical Intuition

A validated antibody panel for the characterization of tau post-translational modifications

Molecular recognition of RNA: challenges for modelling interactions and plasticity

Constraint counting on RNA and ribosomal structures: linking flexibility and function

Modeling conformational flexibility of kinases in inactive states

Analyzing the Flexibility of RNA Structures by Constraint Counting

Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound Optimization

Constraint counting on RNA structures: Linking flexibility and function

Development of Cagrilintide, a Long-Acting Amylin Analogue

Assessment of a probabilistic framework for combining structure- and ligand-based virtual screening

Complex long-distance effects of mutations that confer linezolid resistance in the large ribosomal subunit

Putative histidine kinase inhibitors with antibacterial effect against multi-drug resistant clinical isolates identified by in vitro and in silico screens

Failure of the IDA in FRET Systems at Close Inter-Dye Distances Is Moderated by Frequent Low κ(2) Values

Failure of the IDA in FRET Systems at Close Inter-Dye Distances Is Moderated by Frequent Low κ 2 Values

Failure of the IDA in FRET Systems at Close Inter-Dye Distances Is Moderated by Frequent Low Kappa super(2) Values

HIV-1 TAR RNA Spontaneously Undergoes Relevant Apo-to-Holo Conformational Transitions in Molecular Dynamics and Constrained Geometrical Simulations

Determinants of the species selectivity of oxazolidinone antibiotics targeting the large ribosomal subunit

Substrate derived peptidic α-ketoamides as inhibitors of the malarial protease PfSUB1

Molecular Representations in Machine-Learning-Based Prediction of PK Parameters for Insulin Analogs

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