The Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxid...

por Vianello, Robert, Domene, Carmen, Mavri, Janez
Publicado 2016

The Effect of Deuteration on the H(2) Receptor Histamine Binding Profile: A Computational Insight into Modified Hydrogen Bonding Interactions

por Hok, Lucija, Mavri, Janez, Vianello, Robert
Publicado 2020

Relevance of Hydrogen Bonds for the Histamine H2 Receptor-Ligand Interactions: A Lesson from Deuteration†

por Kržan, Mojca, Keuschler, Jan, Mavri, Janez, Vianello, Robert
Publicado 2020

Why Monoamine Oxidase B Preferably Metabolizes N-Methylhistamine over Histamine: Evidence from the Multiscale Simulation of the Rate-Limiting Step

por Maršavelski, Aleksandra, Mavri, Janez, Vianello, Robert, Stare, Jernej
Publicado 2022

COVID-19 infection and neurodegeneration: Computational evidence for interactions between the SARS-CoV-2 spike protein and monoamine oxidase enzymes

por Hok, Lucija, Rimac, Hrvoje, Mavri, Janez, Vianello, Robert
Publicado 2022

Brunner syndrome caused by point mutation explained by multiscale simulation of enzyme reaction

por Prah, Alja, Pregeljc, Domen, Stare, Jernej, Mavri, Janez
Publicado 2022

Dopamine Autoxidation Is Controlled by Acidic pH

por Umek, Nejc, Geršak, Blaž, Vintar, Neli, Šoštarič, Maja, Mavri, Janez
Publicado 2018

Hydride Abstraction as the Rate-Limiting Step of the Irreversible Inhibition of Monoamine Oxidase B by Rasagiline and Selegiline: A Computational Empirical Valence Bond Study

por Tandarić, Tana, Prah, Alja, Stare, Jernej, Mavri, Janez, Vianello, Robert
Publicado 2020

How Monoamine Oxidase A Decomposes Serotonin: An Empirical Valence Bond Simulation of the Reactive Step

por Prah, Alja, Purg, Miha, Stare, Jernej, Vianello, Robert, Mavri, Janez
Publicado 2020

Path Integral Calculation of the Hydrogen/Deuterium Kinetic Isotope Effect in Monoamine Oxidase A-Catalyzed Decomposition of Benzylamine

por Brela, Mateusz Z., Prah, Alja, Boczar, Marek, Stare, Jernej, Mavri, Janez
Publicado 2019

Computational Insights into β-Carboline Inhibition of Monoamine Oxidase A

por Prah, Alja, Gavranić, Tanja, Perdih, Andrej, Sollner Dolenc, Marija, Mavri, Janez
Publicado 2022

How Azide Ion/Hydrazoic Acid Passes Through Biological Membranes: An Experimental and Computational Study

por Hartl, Simona Lojevec, Žakelj, Simon, Dolenc, Marija Sollner, Smrkolj, Vladimir, Mavri, Janez
Publicado 2023

Evidence for a Cyanine Link Between Propargylamine Drugs and Monoamine Oxidase Clarifies the Inactivation Mechanism

por Albreht, Alen, Vovk, Irena, Mavri, Janez, Marco-Contelles, Jose, Ramsay, Rona R.
Publicado 2018

Chemical Reaction of Soybean Flavonoids with DNA: A Computational Study Using the Implicit Solvent Model

por Abdallah, Hassan H., Mavri, Janez, Repič, Matej, Lee, Vannajan Sanghiran, Wahab, Habibah A.
Publicado 2012

Computational design and characterization of nanobody-derived peptides that stabilize the active conformation of the β(2)-adrenergic receptor (β(2)-AR)

por Sencanski, Milan, Glisic, Sanja, Šnajder, Marko, Veljkovic, Nevena, Poklar Ulrih, Nataša, Mavri, Janez, Vrecl, Milka
Publicado 2019

The Quantum Nature of Drug-Receptor Interactions: Deuteration Changes Binding Affinities for Histamine Receptor Ligands

por Kržan, Mojca, Vianello, Robert, Maršavelski, Aleksandra, Repič, Matej, Zakšek, Maja, Kotnik, Kristina, Fijan, Estera, Mavri, Janez
Publicado 2016

Engineering a pH responsive pore forming protein

por Kisovec, Matic, Rezelj, Saša, Knap, Primož, Cajnko, Miša Mojca, Caserman, Simon, Flašker, Ajda, Žnidaršič, Nada, Repič, Matej, Mavri, Janez, Ruan, Yi, Scheuring, Simon, Podobnik, Marjetka, Anderluh, Gregor
Publicado 2017