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Backbone N‑Amination Promotes the Folding of β‑Hairpin Peptides via a Network of Hydrogen Bonds

Journal of chemical information and modeling, 2022-12, Vol.62 (24), p.6704-6714

2022

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Turning a library into a skill center for scientific information and knowledge management

Nordic journal of information literacy in higher education, 2019-02, Vol.11 (1)

2019

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Ein Schub für Preprintserver

Nachrichten aus der Chemie, 2021, Vol.69 (5), p.26-29

2021

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Toxicity of the Diatom Genus Pseudo-nitzschia (Bacillariophyceae): Insights from Toxicity Tests and Genetic Screening in the Northern Adriatic Sea

Toxins, 2022-01, Vol.14 (1), p.60

2022

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Explainable machine learning for predicting diarrhetic shellfish poisoning events in the Adriatic Sea using long-term monitoring data

Harmful algae, 2024-11, Vol.139, p.102728, Article 102728

2024

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Okadaic acid as a major problem for the seafood safety (Mytilus galloprovincialis) and the dynamics of toxic phytoplankton in the Slovenian coastal sea (Gulf of Trieste, Adriatic Sea)

Harmful algae, 2024-05, Vol.135, p.102632, Article 102632

2024

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Molecular simulation as an aid to experimentalists

Current opinion in structural biology, 2008-04, Vol.18 (2), p.149-153

2008

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Does Preoperative Antimicrobial Prophylaxis Influence the Diagnostic Potential of Periprosthetic Tissues in Hip or Knee Infections?

Clinical orthopaedics and related research, 2016-01, Vol.474 (1), p.258-264

2016

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Deriving Structural Information from Experimentally Measured Data on Biomolecules

Angewandte Chemie International Edition, 2016-12, Vol.55 (52), p.15990-16010

International ed. in English, 2016

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Pharmacokinetics of carprofen in anaesthetized pigs: a preliminary study

Veterinary anaesthesia and analgesia, 2021-01, Vol.48 (1), p.35-41

2021

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Molecular Dynamics Simulations Shed Light on the Enthalpic and Entropic Driving Forces That Govern the Sequence Specific Recognition between Netropsin and DNA

The journal of physical chemistry. B, 2010-09, Vol.114 (34), p.11164-11172

2010

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GROMOS++ Software for the Analysis of Biomolecular Simulation Trajectories

Journal of chemical theory and computation, 2011-10, Vol.7 (10), p.3379-3390

2011

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A molecular dynamics simulation investigation of the relative stability of the cyclic peptide octreotide and its deprotonated and its (CF 3 )-Trp substituted analogs in different solvents

Bioorganic & medicinal chemistry, 2016-10, Vol.24 (20), p.4936-4948

2016

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Thirty-five years of biomolecular simulation: development of methodology, force fields and software

Molecular simulation, 2012-12, Vol.38 (14-15), p.1271-1281

2012

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Detection of tetracycline and other antimicrobial residues in milk from cows with clinical mastitis treated by combination therapy

Journal of dairy research, 2018-08, Vol.85 (3), p.321-326

2018

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A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter Set

Journal of chemical theory and computation, 2016-08, Vol.12 (8), p.3825-3850

2016

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Conformational Properties of the Chemotherapeutic Drug Analogue Epothilone A: How to Model a Flexible Protein Ligand Using Scarcely Available Experimental Data

Journal of chemical information and modeling, 2019-05, Vol.59 (5), p.2218-2230

2019

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Assessment of enveloping distribution sampling to calculate relative free enthalpies of binding for eight netropsin-DNA duplex complexes in aqueous solution

Journal of computational chemistry, 2012-03, Vol.33 (6), p.640-651

2012

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Structure and Conformational Dynamics of the Domain 5 RNA Hairpin of a Bacterial Group II Intron Revealed by Solution Nuclear Magnetic Resonance and Molecular Dynamics Simulations

Biochemistry (Easton), 2013-10, Vol.52 (40), p.7099-7113

2013

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Influence of 63Ser Phosphorylation and Dephosphorylation on the Structure of the Stathmin Helical Nucleation Sequence: A Molecular Dynamics Study

Biochemistry (Easton), 2012-10, Vol.51 (42), p.8455-8463

2012

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Investigation of the structural preference and flexibility of the loop residues in amyloid fibrils of the HET-s prion

Physical chemistry chemical physics : PCCP, 2016-02, Vol.18 (8), p.5860-5866

2016

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On the Sensitivity of Peptide Nucleic Acid Duplex Formation and Crystal Dissolution to a Variation of Force-Field Parameters

Journal of chemical theory and computation, 2014-01, Vol.10 (1), p.391-400

2014

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Molecular dynamics simulations and free energy calculations of netropsin and distamycin binding to an AAAAA DNA binding site

Nucleic acids research, 2005-01, Vol.33 (2), p.725-733

2005

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Biomolecular simulation: historical picture and future perspectives

Biochemical Society transactions, 2008-02, Vol.36 (Pt 1), p.11-15

2008

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Probing the Structure and Dynamics of Proteins by Combining Molecular Dynamics Simulations and Experimental NMR Data

Journal of chemical theory and computation, 2012-10, Vol.8 (10), p.3430-3444

2012

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Backbone N‑Amination Promotes the Folding of β‑Hairpin Peptides via a Network of Hydrogen Bonds

Turning a library into a skill center for scientific information and knowledge management

Ein Schub für Preprintserver

Toxicity of the Diatom Genus Pseudo-nitzschia (Bacillariophyceae): Insights from Toxicity Tests and Genetic Screening in the Northern Adriatic Sea

Explainable machine learning for predicting diarrhetic shellfish poisoning events in the Adriatic Sea using long-term monitoring data

Okadaic acid as a major problem for the seafood safety (Mytilus galloprovincialis) and the dynamics of toxic phytoplankton in the Slovenian coastal sea (Gulf of Trieste, Adriatic Sea)

Molecular simulation as an aid to experimentalists

Does Preoperative Antimicrobial Prophylaxis Influence the Diagnostic Potential of Periprosthetic Tissues in Hip or Knee Infections?

Deriving Structural Information from Experimentally Measured Data on Biomolecules

Pharmacokinetics of carprofen in anaesthetized pigs: a preliminary study

Molecular Dynamics Simulations Shed Light on the Enthalpic and Entropic Driving Forces That Govern the Sequence Specific Recognition between Netropsin and DNA

GROMOS++ Software for the Analysis of Biomolecular Simulation Trajectories

A molecular dynamics simulation investigation of the relative stability of the cyclic peptide octreotide and its deprotonated and its (CF 3 )-Trp substituted analogs in different solvents

Thirty-five years of biomolecular simulation: development of methodology, force fields and software

Detection of tetracycline and other antimicrobial residues in milk from cows with clinical mastitis treated by combination therapy

A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter Set

Conformational Properties of the Chemotherapeutic Drug Analogue Epothilone A: How to Model a Flexible Protein Ligand Using Scarcely Available Experimental Data

Assessment of enveloping distribution sampling to calculate relative free enthalpies of binding for eight netropsin-DNA duplex complexes in aqueous solution

Structure and Conformational Dynamics of the Domain 5 RNA Hairpin of a Bacterial Group II Intron Revealed by Solution Nuclear Magnetic Resonance and Molecular Dynamics Simulations

Influence of 63Ser Phosphorylation and Dephosphorylation on the Structure of the Stathmin Helical Nucleation Sequence: A Molecular Dynamics Study

Investigation of the structural preference and flexibility of the loop residues in amyloid fibrils of the HET-s prion

On the Sensitivity of Peptide Nucleic Acid Duplex Formation and Crystal Dissolution to a Variation of Force-Field Parameters

Molecular dynamics simulations and free energy calculations of netropsin and distamycin binding to an AAAAA DNA binding site

Biomolecular simulation: historical picture and future perspectives

Probing the Structure and Dynamics of Proteins by Combining Molecular Dynamics Simulations and Experimental NMR Data

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