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The Quantum Nature of Drug-Receptor Interactions: Deuteration Changes Binding Affinities for Histamine Receptor LigandsThe Catalytic Dyad in the SGNH Hydrolase Superfamily: In-depth Insight into Structural Parameters Tuning Catalytic Process of Extracellular Lipase from Streptomyces rimosus.The Chemistry of Neurodegeneration: Kinetic Data and Their Implications.Exploring the biological promiscuity of high-throughput screening hits through DFT calculations.Novel pyrimidine-2,4-dione-1,2,3-triazole and furo[2,3-d]pyrimidine-2-one-1,2,3-triazole hybrids as potential anti-cancer agents: Synthesis, computational and X-ray analysis and biological evaluation.Advances in determining the absolute proton affinities of neutral organic molecules in the gas phase and their interpretation: a theoretical account.Tandem β-elimination/hetero-michael addition rearrangement of an N-alkylated pyridinium oxime to an O-alkylated pyridine oxime ether: an experimental and computational study.Hydrogen bond dynamics of histamine monocation in aqueous solution: Car-Parrinello molecular dynamics and vibrational spectroscopy study.Computational Study of the pKa Values of Potential Catalytic Residues in the Active Site of Monoamine Oxidase B.Superbasicity of a bis-guanidino compound with a flexible linker: a theoretical and experimental study.In search of ultrastrong Brønsted neutral organic superacids: a DFT study on some cyclopentadiene derivatives.What a Difference a Methyl Group Makes: The Selectivity of Monoamine Oxidase B Towards Histamine and N-Methylhistamine.Design of Exceptionally Strong Organic Superbases Based on Aromatic Pnictogen Oxides: Computational DFT Analysis of the Oxygen Basicity in the Gas Phase and Acetonitrile Solution.Quantum-chemical approach to determining the high potency of clorgyline as an irreversible acetylenic monoamine oxidase inhibitor.Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine.Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase.Supramolecular Ionic-Liquid Gels with High Ionic ConductivitySuperacidity of P(OH)3 and SO(OH)2 derivatives of cyclopentadiene and vinylcyclopentadiene in the gas phase: A computational DFT analysisTuneable solid-state emitters based on benzimidazole derivatives: Aggregation induced red emission and mechanochromism of D-π-A fluorophoresColourimetric and fluorimetric metal ion chemosensor based on a benzimidazole functionalised Schiff baseAmino-Substituted Benzamide Derivatives as Promising Antioxidant Agents: A Combined Experimental and Computational StudySupramolecular inter-ionic charge-transfer complexes between derivatives of pyridinium-4-oxime cations and hexacyanoferrate(ii) anionsOn the Basicity of Conjugated Nitrogen Heterocycles in Different MediaReversible pH switchable aggregation-induced emission of self-assembled benzimidazole-based acrylonitrile dye in aqueous solutionElementary S N 2 reaction revisited. Effects of solvent and alkyl chain length on kinetics of halogen exchange in haloalkanes elucidated by Empirical Valence Bond simulationFluorescent benzimidazo[1,2-a]quinolines: synthesis, spectroscopic and computational studies of protonation equilibria and metal ion sensitivitySynthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligandsThe origin of specificity and insight into recognition between an aminoacyl carrier protein and its partner ligaseEngineering exceptionally strong oxygen superbases with 1,8-diazanaphthalene di-N-oxidesExamining Electrostatic Preorganization in Monoamine Oxidases A and B by Structural Comparison and pKa CalculationsHydrogen Bond Dynamics of Histamine Monocation in Aqueous Solu-tion: How Geometric Parameters Influence the Hydrogen Bond StrengthBinding of cadmium dication to glutathione facilitates cysteine SH deprotonation: A computational DFT studyHow are Biogenic Amines Metabolized by Monoamine Oxidases?Microsolvation of the histamine monocation in aqueous solution: the effect on structure, hydrogen bonding ability and vibrational spectrumRing Strain and Other Factors Governing the Basicity of Nitrogen Heterocycles – An Interpretation by Triadic AnalysisIrreversible Inhibition of Monoamine Oxidase B by the Antiparkinsonian Medicines Rasagiline and Selegiline: A Computational StudyPolycyano Derivatives of some Organic Tri- and Hexacyclic Molecules Are Powerful Super- and Hyperacids in the Gas Phase and DMSO: Computational Study by DFT ApproachThe engineering of powerful non-ionic superacids in silico—a DFT-B3LYP study of open chain polycyanopolyenesRees polycyanated hydrocarbons and related compounds are extremely powerful Brønsted superacids in the gas-phase and DMSO—a density functional B3LYP studyAromaticity of Rees-type hydrocarbons—a DFT computational study
P50
Q28551894-7D4257AF-B93F-471F-9C02-0E7E7DC0D9DEQ30101144-B79CCC91-B62A-4414-83D0-8F77499048C6Q30973484-5D130F69-C23F-4A6E-ACC0-167B7B7C0AFBQ35127647-98CE51C2-0723-413D-9A77-2D8B74E56A5FQ36201273-B27ED7FB-9509-4E3B-ABEC-0D313316B001Q38031631-93BA5156-963D-4A46-AB60-9B204EB22D32Q38562614-E463BD66-810E-4A43-9B15-1E04140C9902Q39757424-EA507469-0E00-42AD-8E2F-81FC939545A3Q40290774-D40BF58F-779E-416A-9EA7-ADA818840A83Q43252829-18F0AEAF-23FA-4CCB-8DD8-07DF0A290766Q45106605-FB62A5CF-9AD7-4722-BC58-9DBE8D339675Q48000487-F0A3E741-73A0-46B0-A735-15CFD582923CQ48208617-9C415EBD-457F-4422-8BA7-880A0BF22C15Q48491402-7516B09F-C008-4ACE-8A9A-F9D95389ADC3Q50104360-2764126B-75DA-4F32-973E-17320BB987A2Q55710033-30D1122B-CEE9-47D4-9AF7-517CB91E3514Q57652236-9C4D8821-A28F-48B3-A15D-F880AFD55664Q58119841-FBB98204-9AD7-4EE3-9088-D05A2CCFDEF8Q58119845-B95887A3-0BA0-4413-87B4-DA1B4532F06AQ58119848-4EF3E54A-FD9D-4ED4-AC60-CE455B4C0A77Q58119851-43B70BDA-18F2-4893-9442-5E840F72F100Q58119857-8276E9B7-143C-4C79-8D37-0DA3E7F394D3Q58119859-E12C1A35-2F3A-4891-9608-9BE407F6F3B3Q58119863-9D5802A4-827A-4A04-9515-6ADD5D0ADC15Q58119867-90996012-97AE-4AFF-81EB-481CE29D3ABFQ58119870-C9912048-DE31-417D-B166-8AEC0BD9AD81Q58119874-6B276491-7562-4E08-869D-D7FE9A803572Q58119877-FE8AB310-38F4-4982-AA42-F0FF6A8E2A03Q58119884-1D0F53E6-700A-4678-B688-7DC4C2DD6344Q58119890-719B78CC-C4D2-4499-ADFF-0EE481E31E45Q58119893-B2D397DA-8710-4EAF-BB32-E5B8E9D25CDDQ58119898-AD68A09F-970C-4070-B0FD-05228EB4118FQ58119904-3854C370-6575-4537-9D40-5171A6243B07Q58119907-4EE90F76-DA9F-4CEC-A043-85540C288E4FQ58119910-33108F9A-3089-49C4-A5E6-435AE6D3D004Q58119914-8C412D38-4756-419D-BED4-109F09D52F8AQ58119916-40E70772-05D6-43C1-B6F3-3727B4EF2B8DQ58119921-13305CF3-BD36-4F4D-B5EF-D89F678EC895Q58119924-FFAD82EA-6791-4B6C-915D-2BD8575F61C3Q58119926-51CD0CBF-07AB-4A02-A9C8-53C8EED12A00
P50
description
onderzoeker
@nl
researcher, ORCID id # 0000-0003-1779-4524
@en
name
Robert Vianello
@ast
Robert Vianello
@en
Robert Vianello
@es
Robert Vianello
@nl
type
label
Robert Vianello
@ast
Robert Vianello
@en
Robert Vianello
@es
Robert Vianello
@nl
prefLabel
Robert Vianello
@ast
Robert Vianello
@en
Robert Vianello
@es
Robert Vianello
@nl
P214
P106
P1153
6602140934
P21
P214
P31
P496
0000-0003-1779-4524
P734
P735
P7859
viaf-305741987