Publications by authors named "Alex Bunker"

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Combination of Molecular Dynamics Simulations and Machine Learning Reveals Structural Characteristics of Stereochemistry-Specific Interdigitation of Synthetic Monomycoloyl Glycerol Analogs.
Suvi Heinonen, Artturi Koivuniemi, Matthew Davies, Mikko Karttunen, Camilla Foged, Alex Bunker

J Chem Inf Model· July 2025

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POxload: Machine Learning Estimates Drug Loadings of Polymeric Micelles.
Josef Kehrein, Alex Bunker, Robert Luxenhofer

Mol Pharm· July 2024

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Unravel the Tangle: Atomistic Insight into Ultrahigh Curcumin-Loaded Polymer Micelles.
Josef Kehrein, Ekinsu Gürsöz, Matthew Davies, Robert Luxenhofer, Alex Bunker

Small· November 2023

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Activity and potential mechanisms of action of persimmon tannins according to their structures: A review.
Ruifeng Wang, Xin Shi, Kaikai Li, Alex Bunker, Chunmei Li

Int J Biol Macromol· July 2023

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Expanding the Paradigm of Structure-Based Drug Design: Molecular Dynamics Simulations Support the Development of New Pyridine-Based Protein Kinase C-Targeted Agonists.
Saara Lautala, Riccardo Provenzani, Ilari Tarvainen, Katia Sirna, S Tuuli Karhu, Alex Bunker

J Med Chem· April 2023

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Insights into the behavior of unsaturated diacylglycerols in mixed lipid bilayers in relation to protein kinase C activation-A molecular dynamics simulation study.
Suvi Heinonen, Saara Lautala, Artturi Koivuniemi, Alex Bunker

Biochim Biophys Acta Biomembr· September 2022

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Mechanistic Understanding from Molecular Dynamics in Pharmaceutical Research 2: Lipid Membrane in Drug Design.
Tomasz Róg, Mykhailo Girych, Alex Bunker

Pharmaceuticals (Basel)· October 2021

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Mechanistic Insight into How PEGylation Reduces the Efficacy of pH-Sensitive Liposomes from Molecular Dynamics Simulations.
Mohammad Mahmoudzadeh, Aniket Magarkar, Artturi Koivuniemi, Tomasz Róg, Alex Bunker

Mol Pharm· July 2021

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Rigorous Computational Study Reveals What Docking Overlooks: Double Trouble from Membrane Association in Protein Kinase C Modulators.
Saara Lautala, Riccardo Provenzani, Artturi Koivuniemi, Waldemar Kulig, Virpi Talman, Alex Bunker

J Chem Inf Model· November 2020

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Mechanistic Understanding From Molecular Dynamics Simulation in Pharmaceutical Research 1: Drug Delivery.
Alex Bunker, Tomasz Róg

Front Mol Biosci· November 2020

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In Vitro and in Vivo Behavior of Liposomes Decorated with PEGs with Different Chemical Features.
Francesca Mastrotto, Chiara Brazzale, Federica Bellato, Sara De Martin, Guillaume Grange, Alex Bunker

Mol Pharm· April 2020

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Cholesterol Reduces Partitioning of Antifungal Drug Itraconazole into Lipid Bilayers.
Chetan Poojari, Agata Zak, Monika Dzieciuch-Rojek, Alex Bunker, Mariusz Kepczynski

J Phys Chem B· March 2020

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In Vitro and in Vivo Behavior of Liposomes Decorated with PEGs with Different Chemical Features.
Francesca Mastrotto, Chiara Brazzale, Federica Bellato, Sara De Martin, Guillaume Grange, Alex Bunker

Mol Pharm· February 2020

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Insight into the antimicrobial mechanism of action of β-amino acid derivatives from molecular dynamics simulation: Dancing the can-can at the membrane surface.
Artturi Koivuniemi, Adyary Fallarero, Alex Bunker

Biochim Biophys Acta Biomembr· November 2019

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Determinants of Orexin Receptor Binding and Activation-A Molecular Dynamics Study.
Lasse Karhu, Aniket Magarkar, Alex Bunker, Henri Xhaard

J Phys Chem B· March 2019

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Comparison of time-gated surface-enhanced raman spectroscopy (TG-SERS) and classical SERS based monitoring of Escherichia coli cultivation samples.
Martin Kögler, Andrea Paul, Emmanuel Anane, Mario Birkholz, Alex Bunker

Biotechnol Prog· November 2018

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Lipid Architectonics for Superior Oral Bioavailability of Nelfinavir Mesylate: Comparative in vitro and in vivo Assessment.
Tejashree Belubbi, Sukhada Shevade, Vivek Dhawan, Vinay Sridhar, Anuradha Majumdar, Alex Bunker

AAPS PharmSciTech· November 2018

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Control of Peptide Aggregation and Fibrillation by Physical PEGylation.
Elena Ambrosio, Adrian Podmore, Ana L Gomes Dos Santos, Aniket Magarkar, Alex Bunker

Biomacromolecules· October 2018

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The effect of light sensitizer localization on the stability of indocyanine green liposomes.
Tatu Lajunen, Riikka Nurmi, Danny Wilbie, Teemu Ruoslahti, Niklas G Johansson, Alex Bunker

J Control Release· August 2018

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Biophysical Characterization of Supported Lipid Bilayers Using Parallel Dual-Wavelength Surface Plasmon Resonance and Quartz Crystal Microbalance Measurements.
Petteri Parkkila, Mohamed Elderdfi, Alex Bunker, Tapani Viitala

Langmuir· July 2018

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Membrane bound COMT isoform is an interfacial enzyme: general mechanism and new drug design paradigm.
Aniket Magarkar, Petteri Parkkila, Tapani Viitala, Tatu Lajunen, Edouard Mobarak, Alex Bunker

Chem Commun (Camb)· April 2018

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Interactions between Chloramphenicol, Carrier Polymers, and Bacteria-Implications for Designing Electrospun Drug Delivery Systems Countering Wound Infection.
Liis Preem, Mohammad Mahmoudzadeh, Marta Putrinš, Andres Meos, Ivo Laidmäe, Alex Bunker

Mol Pharm· December 2017

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Oligomerization Alters Binding Affinity Between Amyloid Beta and a Modulator of Peptide Aggregation.
Silvia Hilt, Tatu Rojalin, Tapani Viitala, Artturi Koivuniemi, Alex Bunker

J Phys Chem C Nanomater Interfaces· November 2017

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Influence of doxorubicin on model cell membrane properties: insights from in vitro and in silico studies.
Ana Catarina Alves, Aniket Magarkar, Miguel Horta, Jose L F C Lima, Alex Bunker

Sci Rep· July 2017

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A novel framework to improve MHC-I epitopes and break the tolerance to melanoma.
Cristian Capasso, Aniket Magarkar, Victor Cervera-Carrascon, Manlio Fusciello, Sara Feola, Alex Bunker

Oncoimmunology· May 2017

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