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Structure determination of an amorphous drug through large-scale NMR predictions

Nature communications, 2021-05, Vol.12 (1), p.2964-2964, Article 2964

2021

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Predictive power of long-range corrected functionals on the spectroscopic properties of tetrapyrrole derivatives for photodynamic therapy

Physical chemistry chemical physics : PCCP, 2011-04, Vol.13 (15), p.7207-7217

2011

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Computational design of chlorin based photosensitizers with enhanced absorption properties

Physical chemistry chemical physics : PCCP, 2011-06, Vol.13 (24), p.11590-11596

2011

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7-Nitro-4-(phenylthio)benzofurazan is a potent generator of superoxide and hydrogen peroxide

Archives of toxicology, 2012-10, Vol.86 (10), p.1613-1625

2012

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Molecular Dynamics Studies of Liposomes as Carriers for Photosensitizing Drugs: Development, Validation, and Simulations with a Coarse-Grained Model

Journal of chemical theory and computation, 2014-01, Vol.10 (1), p.5-13

2014

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The Influence of Cholesterol on the Properties and Permeability of Hypericin Derivatives in Lipid Membranes

Journal of chemical theory and computation, 2011-03, Vol.7 (3), p.560-574

2011

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Can Range-Separated and Hybrid DFT Functionals Predict Low-Lying Excitations? A Tookad Case Study

Journal of chemical theory and computation, 2010-07, Vol.6 (7), p.2086-2094

2010

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Identifying the sarco(endo)plasmic reticulum Ca2+ ATPase (SERCA) as a potential target for hypericin ― a theoretical study

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (36), p.12637-12646

2012

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Properties and Permeability of Hypericin and Brominated Hypericin in Lipid Membranes

Journal of chemical theory and computation, 2009-12, Vol.5 (12), p.3139-3149

2009

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De novo tertiary structure prediction using RNA123—benchmarking and application to Macugen

Journal of molecular modeling, 2014-08, Vol.20 (8), p.2389-2389, Article 2389

2014

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1,2-Bis(methylsulfonyl)-1-(2-chloroethyl)-2-[[1-(4-nitrophenyl)ethoxy]carbonyl]hydrazine (KS119): a Cytotoxic Prodrug with Two Stable Conformations Differing in Biological and Physical Properties

Chemical biology & drug design, 2011-10, Vol.78 (4), p.513-526

2011

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Identifying the sarco(endo)plasmic reticulum Ca2+ ATPase (SERCA) as a potential target for hypericin - a theoretical studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c2cp42237a

2012-08

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Permeability of 5-aminolevulinic acid oxime derivatives in lipid membranes

Theoretical chemistry accounts, 2016, Vol.135 (1), p.1, Article 26

2016

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Identifying the sarco(endo)plasmic reticulum Ca super(2+) ATPase (SERCA) as a potential target for hypericin - a theoretical study

Physical chemistry chemical physics : PCCP, 2012-08, Vol.14 (36), p.12637-12646

2012

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Redox and debromination reactions of brominated hypericin

International journal of quantum chemistry, 2008, Vol.108 (11), p.1921-1929

2008

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Impact of age, BMI and HbA1c levels on the genome-wide DNA methylation and mRNA expression patterns in human adipose tissue and identification of epigenetic biomarkers in blood

Human molecular genetics, 2015-07, Vol.24 (13), p.3792-3813

2015

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Thioredoxin a novel biomarker of post-injury sepsis

Free radical biology & medicine, 2017-03, Vol.104, p.138-143

2017

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Calf or grass – What would the cow choose?

Applied animal behaviour science, 2023-11, Vol.268, p.106087, Article 106087

2023

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A Genome-Wide mQTL Analysis in Human Adipose Tissue Identifies Genetic Variants Associated with DNA Methylation, Gene Expression and Metabolic Traits

PloS one, 2016-06, Vol.11 (6), p.e0157776-e0157776

2016

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Exposure to retene, fluoranthene, and their binary mixture causes distinct transcriptomic and apical outcomes in rainbow trout (Oncorhynchus mykiss) yolk sac alevins

Aquatic toxicology, 2022-03, Vol.244, p.106083-106083, Article 106083

2022

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Increased deposition of glycosaminoglycans and altered structure of heparan sulfate in idiopathic pulmonary fibrosis

The international journal of biochemistry & cell biology, 2017-02, Vol.83, p.27-38

2017

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An Arctic Ocean ice shelf during MIS 6 constrained by new geophysical and geological data

Quaternary science reviews, 2010-12, Vol.29 (25), p.3505-3517

2010

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Pleiotropic Meta-Analysis of Cognition, Education, and Schizophrenia Differentiates Roles of Early Neurodevelopmental and Adult Synaptic Pathways

American journal of human genetics, 2019-08, Vol.105 (2), p.334-350

2019

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Nationwide case-control study of risk factors and outcomes for community-acquired sepsis

Scientific reports, 2021-07, Vol.11 (1), p.15118-15118, Article 15118

2021

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Structure determination of an amorphous drug through large-scale NMR predictions

Predictive power of long-range corrected functionals on the spectroscopic properties of tetrapyrrole derivatives for photodynamic therapy

Computational design of chlorin based photosensitizers with enhanced absorption properties

7-Nitro-4-(phenylthio)benzofurazan is a potent generator of superoxide and hydrogen peroxide

Molecular Dynamics Studies of Liposomes as Carriers for Photosensitizing Drugs: Development, Validation, and Simulations with a Coarse-Grained Model

The Influence of Cholesterol on the Properties and Permeability of Hypericin Derivatives in Lipid Membranes

Can Range-Separated and Hybrid DFT Functionals Predict Low-Lying Excitations? A Tookad Case Study

Identifying the sarco(endo)plasmic reticulum Ca2+ ATPase (SERCA) as a potential target for hypericin ― a theoretical study

Properties and Permeability of Hypericin and Brominated Hypericin in Lipid Membranes

De novo tertiary structure prediction using RNA123—benchmarking and application to Macugen

1,2-Bis(methylsulfonyl)-1-(2-chloroethyl)-2-[[1-(4-nitrophenyl)ethoxy]carbonyl]hydrazine (KS119): a Cytotoxic Prodrug with Two Stable Conformations Differing in Biological and Physical Properties

Identifying the sarco(endo)plasmic reticulum Ca2+ ATPase (SERCA) as a potential target for hypericin - a theoretical studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c2cp42237a

Permeability of 5-aminolevulinic acid oxime derivatives in lipid membranes

Identifying the sarco(endo)plasmic reticulum Ca super(2+) ATPase (SERCA) as a potential target for hypericin - a theoretical study

Redox and debromination reactions of brominated hypericin

Osteoblast-derived WNT16 represses osteoclastogenesis and prevents cortical bone fragility fractures

Impact of age, BMI and HbA1c levels on the genome-wide DNA methylation and mRNA expression patterns in human adipose tissue and identification of epigenetic biomarkers in blood

Thioredoxin a novel biomarker of post-injury sepsis

Calf or grass – What would the cow choose?

A Genome-Wide mQTL Analysis in Human Adipose Tissue Identifies Genetic Variants Associated with DNA Methylation, Gene Expression and Metabolic Traits

Exposure to retene, fluoranthene, and their binary mixture causes distinct transcriptomic and apical outcomes in rainbow trout (Oncorhynchus mykiss) yolk sac alevins

Increased deposition of glycosaminoglycans and altered structure of heparan sulfate in idiopathic pulmonary fibrosis

An Arctic Ocean ice shelf during MIS 6 constrained by new geophysical and geological data

Pleiotropic Meta-Analysis of Cognition, Education, and Schizophrenia Differentiates Roles of Early Neurodevelopmental and Adult Synaptic Pathways

Nationwide case-control study of risk factors and outcomes for community-acquired sepsis

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