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The Journal of Chemical Physics|June 8, 2007
Car-Parrinello simulation of an O-H stretching envelope and potential of mean force of an intramolecular hydrogen bonded system: application to a Mannich base in solid state and in vacuumAneta Jezierska, Jarosław J Panek, Aleksander Koll, et al.Journal of Computational Chemistry|May 27, 2022
Simulation of slow reaction with quantum character: Neutral hydrolysis of carboxylic esterMarc F Lensink, Janez Mavri, Herman J C BerendsenChemico-Biological Interactions|November 10, 2015
A quantum chemical study of the reactivity of acetaminophen (paracetamol) toxic metabolite N-acetyl-p-benzoquinone imine with deoxyguanosine and glutathioneIvana Klopčič, Matic Poberžnik, Janez Mavri, et al.The Journal of Organic Chemistry|May 20, 2006
Chemical reactivity as a tool to study carcinogenicity: reaction between chloroethylene oxide and guanineUrban Bren, Mateja Zupan, F Peter Guengerich, et al.Acta Chimica Slovenica|November 5, 2021
Local Anesthetics Transfer Across the Membrane: Reproducing Octanol-Water Partition Coefficients by Solvent Reaction Field MethodsHana Kavcic, Nejc Umek, Domen Pregeljc, et al.The Journal of Physical Chemistry. B|December 12, 2007
Simulation of tunneling in enzyme catalysis by combining a biased propagation approach and the quantum classical path method: application to lipoxygenaseJanez Mavri, Hanbin Liu, Mats H M Olsson, et al.The Journal of Physical Chemistry. B|March 25, 2016
Path Integral Simulation of the H/D Kinetic Isotope Effect in Monoamine Oxidase B Catalyzed Decomposition of DopamineJanez Mavri, Ricardo A Matute, Zhen T Chu, et al.Computers in Biology and Medicine|August 23, 2023
Micro-pharmacokinetics of lidocaine and bupivacaine transfer across a myelinated nerve fiberVladimir Smrkolj, Domen Pregeljc, Hana Kavčič, et al.Frontiers in Molecular Neuroscience|January 9, 2019
Dopamine Autoxidation Is Controlled by Acidic pHNejc Umek, Blaž Geršak, Neli Vintar, et al.The Journal of Physical Chemistry. B|April 24, 2007
Car-Parrinello molecular dynamics study of anharmonic systems: a Mannich base in solutionAneta Jezierska, Jarosław Panek, Urban Borstnik, et al.Pageof 7