Digitalni repozitorij Prirodoslovno-matematičkog fakulteta u Splitu

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Simulation Study of the Effect of Antimicrobial Peptide Associations on the Mechanism of Action with Bacterial and Eukaryotic Membranes

Maleš, Matko Zoranić, Larisa

2022-09-16

Antimicrobial peptides (AMPs) can be directed to specific membranes based on differences in lipid composition. In this study, we performed atomistic and coarse- grained simulations of different numbers of the designed AMP adepantin-1 with a eukaryoti…

Sveučilište u Splitu Sveučilište u Splitu, Prirodoslovno-matematički fakultet Odjel za fiziku

Sveučilište u Splitu Sveučilište u Splitu, Pomorski fakultet

Membranes Vol. 12, Br. 9, str. 1–19

DOI10.3390/membranes12090891 eISSN2077-0375

Digitalni repozitorij Prirodoslovno-matematičkog fakulteta u Splitu

alpha-helical peptides antimicrobial peptides mode of action molecular dynamic simulations membrane-peptide interaction aggregation

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Relating Molecular Dynamics Simulations to Functional Activity for Gly-Rich Membranolytic Helical Kiadin Peptides

Rončević, Tomislav Maleš, Matko Sonavane, Yogesh Guida, Filomena Pacor, Sabrina Tossi, Alessandro Zoranić, Larisa

2023-05-08

Kiadins are in silico designed peptides with a strong similarity to diPGLa-H, a tandem sequence of PGLa-H (KIAKVALKAL) and with single, double or quadruple glycine substitutions. They were found to show high variability in their activity and selectiv…

Sveučilište u Splitu Sveučilište u Splitu, Prirodoslovno-matematički fakultet Odjel za biologiju

Sveučilište u Splitu Sveučilište u Splitu, Prirodoslovno-matematički fakultet Odjel za fiziku

Sveučilište u Splitu Sveučilište u Splitu, Pomorski fakultet

Pharmaceutics Vol. 15, Br. 5, str. 1–24

DOI10.3390/pharmaceutics15051433 eISSN1999-4923

Digitalni repozitorij Prirodoslovno-matematičkog fakulteta u Splitu

glycine substitutions helical antimicrobial peptides mode of action peptide-membrane interaction

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Enhancing Thermodynamics Education: Insights from Student Knowledge Assessments on (Ir)reversible Processes and (Non)equilibrium Phenomena

Weber, Ivana Borić, Tina Mardešić, Josipa Bilušić, Ante Zoranić, Larisa

2024-12-19

Thermodynamics is a theory based on phenomenological premises and has wide applicability in science and technology. However, it remains one of the most challenging subjects to understand and teach, which makes it an excellent candidate for research a…

Sveučilište u Splitu Sveučilište u Splitu, Prirodoslovno-matematički fakultet Odjel za fiziku

Education sciences Vol. 14, Br. 12, str. 1–21

DOI10.3390/educsci14121395 eISSN2227-7102

Digitalni repozitorij Prirodoslovno-matematičkog fakulteta u Splitu

thermodynamics nonequilibrium entropy evaluation study

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Role of Peptide Associations in Enhancing the Antimicrobial Activity of Adepantins: Comparative Molecular Dynamics Simulations and Design Assessments

Maleš, Matko Juretić, Davor Zoranić, Larisa

2024-11-08

Adepantins are peptides designed to optimize antimicrobial biological activity through the choice of specific amino acid residues, resulting in helical and amphipathic structures. This paper focuses on revealing the atomistic details of the mechanism…

Sveučilište u Splitu Sveučilište u Splitu, Prirodoslovno-matematički fakultet Odjel za fiziku

Sveučilište u Splitu Sveučilište u Splitu, Pomorski fakultet

International journal of molecular sciences Vol. 25, Br. 22, str. 1–21

DOI10.3390/ijms252212009 eISSN1422-0067

Digitalni repozitorij Prirodoslovno-matematičkog fakulteta u Splitu

antimicrobial peptides design of peptides molecular dynamics associations

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Functionalized Au-15 nanoclusters as luminescent probes for protein carbonylation detection

Combes, Guillaume F. Fakhouri, Hussein Moulin, Christophe Girod, Marion Bertorelle, Franck Basu, Srestha Ladouce, Romain Perić Bakulić, Martina Sanader Maršić, Željka Russier- Antoine, Isabelle Brevet, Pierre-François Dugourd, Philippe Kriško, Anita Trajković, Katarina Radman, Miroslav Bonačić-Koutecky, Vlasta Antoine, Rodolphe

2021-05-14

Atomically precise, ligand-protected gold nanoclusters (AuNCs) attract considerable attention as contrast agents in the biosensing field. However, the control of their optical properties and functionalization of surface ligands remain challenging. He…

Mediteranski institut za istraživanje života

Sveučilište u Splitu Sveučilište u Splitu, Prirodoslovno-matematički fakultet Odjel za fiziku

Communications chemistry Vol. 4, Br. 1, str. 1–11

DOI10.1038/s42004-021-00497-z eISSN2399-3669

Digitalni repozitorij Prirodoslovno-matematičkog fakulteta u Splitu

nanoclusters

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Ligand impact on reactive oxygen species generation of Au10 and Au25 nanoclusters upon one- and two-photon excitation

Fakhouri, Hussein Perić Bakulić, Martina Zhang, Issan Yuan, Hao Bain, Dipankar Rondepierre, Fabien Brevet, Pierre-François Sanader Maršić, Željka Antoine, Rodolphe Bonačić-Koutecky, Vlasta Maysinger, Dušica

2023-05-22

In photodynamic therapy (PDT), light-sensitive photosensitizers produce reactive oxygen species (ROS) after irradiation in the presence of oxygen. Atomically-precise thiolate-protected gold nanoclusters are molecule-like nanostructures with discrete …

Sveučilište u Splitu Sveučilište u Splitu, Prirodoslovno-matematički fakultet Odjel za fiziku

Sveučilište u Splitu Sveučilište u Splitu, Kemijsko-tehnološki fakultet Odsjek za kemiju

Communications chemistry Vol. 6, Br. 1, str. 1–10

DOI10.1038/s42004-023-00895-5 eISSN2399-3669

Digitalni repozitorij Prirodoslovno-matematičkog fakulteta u Splitu

Gold nanoclusters photoluminescence TDDFT reactive oxygen species PDT

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A density functional theory study of dye-sensitized solar cells with graphene quantum dots: only a matter of size?

Gemeri, Dejan Sanader Maršić, Željka Bahmann, H.

2025-05-21

In this work, we investigate the electronic interaction between graphene quantum dots (GQDs) of varying sizes, organic dye sensitizers and a TiO2-cluster. The dyes included here have been previously investigated by means of density functional theory …

Sveučilište u Splitu Sveučilište u Splitu, Prirodoslovno-matematički fakultet Odjel za fiziku

Materials advances Vol. 6, Br. 14, str. 4768–4777

DOI10.1039/d5ma00246j pISSN2633-5409

Digitalni repozitorij Prirodoslovno-matematičkog fakulteta u Splitu

dye-sensitized solar cells graphene quantum dots exchange-correlation functional DFT TDDFT

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High-frequency sea-level analysis: Global distributions

Zemunik Selak, Petra Denamiel, Clea Lumina Šepić, Jadranka Vilibić, Ivica

2022

This paper provides global climatology of high-frequency (T < 2 h) sea-level oscillations of atmospheric origin. Sea-level series with a temporal resolution of 1 min from 331 tide gauges in the world ocean and spanning between 1.5 and 12 years were a…

INSTITUT ZA OCEANOGRAFIJU I RIBARSTVO

INSTITUT RUĐER BOŠKOVIĆ

Sveučilište u Splitu Sveučilište u Splitu, Prirodoslovno-matematički fakultet Odjel za fiziku

Global and planetary change Vol. 210, str. 1–18

DOI10.1016/j.gloplacha.2022.103775 eISSN1872-6364 pISSN0921-8181

Digitalni repozitorij Prirodoslovno-matematičkog fakulteta u Splitu

high-frequency sea level tide-gauge records atmosphere-ocean interaction meteotsunami

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Impacts of Sea Bottom Temperature on CPUE of European Lobster Homarus gammarus (Linnaeus, 1758; Decapoda, Nephropidae) in the Eastern Adriatic Sea

Matić Skoko, Sanja Pavičić, Mišo Šepić, Jadranka Janeković, Ivica Vrdoljak, Dario Vilibić, Ivica Stagličić, Nika Šegvić Bubić, Tanja Vujević, Ante

2022-04-25

The study describes recent decadal changes (2008- 2017) in the landing biomass, fishing effort and CPUE (kg/day) data of European lobster Homarus gammarus in the eastern Adriatic Sea region, and relates these changes to increases of sea bottom temper…

INSTITUT ZA OCEANOGRAFIJU I RIBARSTVO

INSTITUT RUĐER BOŠKOVIĆ

Sveučilište u Splitu Sveučilište u Splitu, Prirodoslovno-matematički fakultet Odjel za fiziku

Frontiers in marine science Vol. 9, str. 1–14

DOI10.3389/fmars.2022.891197 eISSN2296-7745

Digitalni repozitorij Prirodoslovno-matematičkog fakulteta u Splitu

higher CPUE landings climate change Homarus gammarus Northern Adriatic Sea

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Prilog u časopisu Dostupan nakon (2027-07-09)

From methanol to 1-nonanol: chain length effects on the dynamic properties in linear alcohols

Mihaljević, Drago Požar, Martina

2026

Neat 1-alcohols, from methanol to 1-nonanol, are studied using molecular dynamics simulations with the following goal: ascertaining the effect of the alkyl chain length on their dynamic properties. The alcohols were investigated in terms of their dif…

Sveučilište u Splitu Sveučilište u Splitu, Prirodoslovno-matematički fakultet Odjel za fiziku

Molecular simulation Vol. 52, Br. 12, str. 1051–1067

DOI10.1080/08927022.2026.2699257 eISSN1029-0435 pISSN0892-7022

Digitalni repozitorij Prirodoslovno-matematičkog fakulteta u Splitu

linear alcohols molecular dynamics simulation force field comparison hydrogen bond dynamics Stokes-Einstein relation

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Digitalni repozitorij Prirodoslovno-matematičkog fakulteta u Splitu

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