NMR structure of human restriction factor APOBEC3A reveals substrate binding and enzyme specificity

In‐Ja L. Byeon, Jin-Woo Ahn, Mithun Mitra, +6

Nature Communications

Impact of Plasticity and Flexibility on Docking Results for Cytochrome P450 2D6: A Combined Approach of Molecular Dynamics and Ligand Docking

Jozef Hritz, Anita de Ruiter, Chris Oostenbrink

Journal of Medicinal Chemistry

Protein AssemblyBiomolecular Structure PredictionMolecular BiologyLigand DockingChemical Biology +17

Toc12, a Novel Subunit of the Intermembrane Space Preprotein Translocon of Chloroplasts

Thomas Becker, Jozef Hritz, Markus Vogel, +4

Molecular Biology of the Cell

Protein AssemblyMolecular BiologyProtein FoldingChaperonesSecretory Pathway +16

Frequent mutation of receptor protein tyrosine phosphatases provides a mechanism for STAT3 hyperactivation in head and neck cancer

Vivian Wai Yan Lui, Noah D. Peyser, Patrick Kwok‐Shing Ng, +19

Proceedings of the National Academy of Sciences

Hamiltonian replica exchange molecular dynamics using soft-core interactions

Jozef Hritz, Chris Oostenbrink

The Journal of Chemical Physics

Deliberate Attenuation of Chikungunya Virus by Adaptation to Heparan Sulfate-Dependent Infectivity: A Model for Rational Arboviral Vaccine Design

Christina L. Gardner, Jozef Hritz, Chengqun Sun, +6

PLoS neglected tropical diseases

Deliberate AttenuationViral PathogenesisImmunologyViral Structural ProteinVirus Transmission +17

Virtual Screening and Prediction of Site of Metabolism for Cytochrome P450 1A2 Ligands

Vasanthanathan Poongavanam, Jozef Hritz, Olivier Taboureau, +4

Journal of Chemical Information and Modeling

Biomolecular Structure PredictionHuman Cytochrome P450Chemical BiologyMetabolic ModelMetabolic Network +19

Role of Water in Molecular Docking Simulations of Cytochrome P450 2D6

Rita Santos, Jozef Hritz, Chris Oostenbrink

Journal of Chemical Information and Modeling

EngineeringMolecular BiologyComputational ChemistryWater MoleculesCytochrome P450 2D6 +15

A Library of Fluorescent Peptides for Exploring the Substrate Specificities of Prolyl Isomerases

Gabriel Žoldák, Tobias Aumüller, Christian Lücke, +4

Biochemistry

Prolyl IsomerasesProtein ChemistryBiochemistryProtein AssemblyProtein Folding +12

Natural Variation in the Heparan Sulfate Binding Domain of the Eastern Equine Encephalitis Virus E2 Glycoprotein Alters Interactions with Cell Surfaces and Virulence in Mice

Christina L. Gardner, Jo Choi‐Nurvitadhi, Chengqun Sun, +4

Journal of Virology

Virus StructureMolecular VirologyNatural VariationNeurovirologyPathogenesis +13