S. Jónsdóttir

发表

QSPR Models Based on Molecular Mechanics and Quantum Chemical Calculations. 2. Thermodynamic Properties of Alkanes, Alcohols, Polyols, and Ethers

Svava Ósk Jónsdóttir, Jane Dannow Dyekjær and, S. Jónsdóttir, 2003 .

Physicologically Based Toxicokinetic Models of Tebuconazole and Application in Human Risk Assessment.

Annette Petersen, Elsa Nielsen, E. Nielsen, 2016, Chemical research in toxicology.

Optimization of the cumulative risk assessment of pesticides and biocides using computational techniques: Pilot project

J. Larsen, E. Nielsen, A. Petersen, 2014 .

hERG blocking potential of acids and zwitterions characterized by three thresholds for acidity, size and reactivity.

E. B. Wedebye, M. Dybdahl, N. Nikolov, 2014, Bioorganic & medicinal chemistry.

QSAR model for human pregnane X receptor (PXR) binding: screening of environmental chemicals and correlations with genotoxicity, endocrine disruption and teratogenicity.

E. B. Wedebye, M. Dybdahl, N. Nikolov, 2012, Toxicology and applied pharmacology.

Prediction of drug efficacy for cancer treatment based on comparative analysis of chemosensitivity and gene expression data.

A. Eklund, Qiyuan Li, O. Rigina, 2012, Bioorganic & medicinal chemistry.

Aspects of conformational mobility in charged oligosaccharides

H. Egge, R. Klein, S. Jónsdóttir, 1997 .

Prediction of Accurate Binding Modes using Combination of classical and accelerated Molecular dynamics and Free Energy Perturbation Calculations: An Application to Toxicity Studies

F. Fratev, T. Steinbrecher, S. Jónsdóttir, 2018, bioRxiv.

Identification of cytochrome P450 2D6 and 2C9 substrates and inhibitors by QSAR analysis.

E. B. Wedebye, M. Dybdahl, N. Nikolov, 2012, Bioorganic & medicinal chemistry.

Phase equilibria of carbohydrates: the study of a series of glucose oligomers from glucose to maltopentaose in aqueous solution: Experimental versus predicted data using various UNIQUAC/UNIFAC models

P. Westh, S. Jónsdóttir, S. Cooke, 2002 .

Vapor-liquid equilibria of polymer solutions determined by molecular mechanics

W. Welsh, P. Rasmussen, S. Jónsdóttir, 1998 .

QSPR models for various physical properties of carbohydrates based on molecular mechanics and quantum chemical calculations.

J. D. Dyekjaer, S. Jónsdóttir, 2004, Carbohydrate research.

A thermodynamic study of glucose and related oligomers in aqueous solution: Vapor pressures and enthalpies of mixing

P. Westh, S. Jónsdóttir, S. Cooke, 2002 .

Modeling of the phase equilibria of polystyrene in methylcyclohexane with semi-empirical quantum mechanical methods I

S. Jónsdóttir, H. Wilczura-Wachnik, 2003 .

Modeling and measurements of solid-liquid and vapor-liquid equilibria of polyols and carbohydrates in aqueous solution.

E. Macedo, S. Jónsdóttir, Stephen A Cooke, 2002, Carbohydrate research.

The phosphorylation specificity of B-RAF WT, B-RAF D594V, B-RAF V600E and B-RAF K601E kinases: an in silico study.

F. Fratev, S. Jónsdóttir, 2010, Journal of molecular graphics & modelling.

An in silico study of the molecular basis of B-RAF activation and conformational stability

A. Giuliani, F. Fratev, R. Bruni, 2009, BMC Structural Biology.

The consistent force field. Part 6: an optimized set of potential energy functions for primary amines

S. Jónsdóttir, K. Rasmussen, 2000 .

Discovery of a Novel Selective PPARγ Ligand with Partial Agonist Binding Properties by Integrated in Silico/in Vitro Work Flow

Tudor I. Oprea, Olivier Taboureau, Karsten Kristiansen, 2013, J. Chem. Inf. Model..

Prediction methods and databases within chemoinformatics : Emphasis on drugs and drug candidates

Søren Brunak, Flemming Steen Jørgensen, Svava Ósk Jónsdóttir, 2005 .

QSAR screening of 70,983 REACH substances for genotoxic carcinogenicity, mutagenicity and developmental toxicity in the ChemScreen project.

Marianne Dybdahl, Jay R Niemelä, E. B. Wedebye, 2015, Reproductive toxicology.

Monitoring novel metabolic pathways using metabolomics and machine learning: induction of the phosphoketolase pathway in Aspergillus nidulans cultivations

L. Olsson, G. Panagiotou, I. Kouskoumvekaki, 2007, Metabolomics.

Mechanism of vibrational relaxation and intersystem crossing within excited ion-pair states of I2

T. Thorgeirsson, S. Jónsdóttir, Á. Kvaran, 1991, Proceedings / Indian Academy of Sciences.

Identification of biomarkers for genotyping Aspergilli using non-linear methods for clustering and classification

Zhiyong Yang, Lisbeth Olsson, Svava Ósk Jónsdóttir, 2008, BMC Bioinformatics.

Phase equilibria of carbohydrates in polar solvents.

P. Rasmussen, S. Jónsdóttir, 1999 .

UNIQUAC interaction parameters for alkane/amine systems determined by Molecular Mechanics

R. Klein, S. Jónsdóttir, K. Rasmussen, 1996 .

QSPR models based on molecular mechanics and quantum chemical calculations

Kjeld Rasmussen, S. Jónsdóttir, Jane Dyekjær, 2002, Journal of molecular modeling.

Vapor-Liquid (VLE) and Liquid-Liquid (LLE) Phase Equilibria Calculations for Polystyrene + Methylcyclohexane and Polystyrene + Cyclohexane Solutions

S. Jónsdóttir, H. Wilczura-Wachnik, 2006 .

Prediction of Accurate Binding Modes Using Combination of Classical and Accelerated Molecular Dynamics and Free-Energy Perturbation Calculations: An Application to Toxicity Studies

F. Fratev, T. Steinbrecher, S. Jónsdóttir, 2018, bioRxiv.

Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates

S. Jónsdóttir, Flemming Steen Jørgensen, Søren Brunak, 2005, Bioinform..

An in silico study of the molecular basis of B-RAF activation and conformational stability

F. Fratev, S. Jónsdóttir, Filip F Fratev, 2009, BMC Structural Biology.

QSAR model for human pregnane X receptor (PXR) binding: screening of environmental chemicals and correlations with genotoxicity, endocrine disruption and teratogenicity.

E. B. Wedebye, M. Dybdahl, N. Nikolov, 2012, Toxicology and applied pharmacology.

Prediction of pH-Dependent Aqueous Solubility of Druglike Molecules

Søren Brunak, Flemming Steen Jørgensen, Svava Ósk Jónsdóttir, 2006, J. Chem. Inf. Model..

UNIQUAC interaction parameters for molecules with OH group on adjacent carbon atoms in aqueous solution determined by molecular mechanics—glycols, glycerol and glucose

R. Klein, S. Jónsdóttir, 1997 .

Molecular basis of inactive B-RAF(WT) and B-RAF(V600E) ligand inhibition, selectivity and conformational stability: an in silico study.

Ilza Pajeva, Filip Fratev, Elina Mihaylova, 2009, Molecular pharmaceutics.

An in silico study of the molecular basis of B-RAF activation and conformational stability

S. Jónsdóttir, Filip F Fratev, 2009, BMC Structural Biology.