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

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

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

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

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The effect of light sensitizer localization on the stability of indocyanine green liposomes von Lajunen, Tatu, Nurmi, Riikka, Wilbie, Danny, Ruoslahti, Teemu, Johansson, Niklas G., Korhonen, Ossi, Rog, Tomasz, Bunker, Alex, Ruponen, Marika, Urtti, Arto

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Bitopic and Peripheral Membrane Proteins as Drug Targets: Broader Biophysical Insight from Biomembrane Simulations that Transcends the “Lock and Key” Paradigm von Bunker, Alex

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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 von Heinonen, Suvi, Lautala, Saara, Koivuniemi, Artturi, Bunker, Alex

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Oncolytic adenoviruses coated with MHC-I tumor epitopes increase the antitumor immunity and efficacy against melanoma von Capasso, Cristian, Hirvinen, Mari, Garofalo, Mariangela, Romaniuk, Dmitrii, Kuryk, Lukasz, Sarvela, Teea, Vitale, Andrea, Antopolsky, Maxim, Magarkar, Aniket, Viitala, Tapani, Suutari, Teemu, Bunker, Alex, Yliperttula, Marjo, Urtti, Arto, Cerullo, Vincenzo

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Analysis of cause of failure of new targeting peptide in PEGylated liposome: Molecular modeling as rational design tool for nanomedicine von Lehtinen, Julia, Magarkar, Aniket, Stepniewski, Michał, Hakola, Satu, Bergman, Mathias, Róg, Tomasz, Yliperttula, Marjo, Urtti, Arto, Bunker, Alex

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Effect of piroxicam on lipid membranes: Drug encapsulation and gastric toxicity aspects von Wilkosz, Natalia, Rissanen, Sami, Cyza, Małgorzata, Szybka, Renata, Nowakowska, Maria, Bunker, Alex, Róg, Tomasz, Kepczynski, Mariusz

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Multiscale modeling of emergent materials : biological and soft matter von MURTOLA, Teemu, BUNKER, Alex, VATTULAINEN, Ilpo, DESERNO, Markus, KARTTUNEN, Mikko

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Rational design of liposomal drug delivery systems, a review: Combined experimental and computational studies of lipid membranes, liposomes and their PEGylation von Bunker, Alex, Magarkar, Aniket, Viitala, Tapani

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Hydrophobin film structure for HFBI and HFBII and mechanism for accelerated film formation von Magarkar, Aniket, Mele, Nawel, Abdel-Rahman, Noha, Butcher, Sarah, Torkkeli, Mika, Serimaa, Ritva, Paananen, Arja, Linder, Markus, Bunker, Alex

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Effects of the Lipid Bilayer Phase State on the Water Membrane Interface von Stȩpniewski, Michał, Bunker, Alex, Pasenkiewicz-Gierula, Marta, Karttunen, Mikko, Róg, Tomasz

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Molecular Dynamics Simulations of the Bacterial ABC Transporter SAV1866 in the Closed Form von St-Pierre, Jean-François, Bunker, Alex, Róg, Tomasz, Karttunen, Mikko, Mousseau, Normand

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A novel in silico framework to improve MHC-I epitopes and break the tolerance to melanoma von Capasso, Cristian, Magarkar, Aniket, Cervera-Carrascon, Victor, Fusciello, Manlio, Feola, Sara, Muller, Martin, Garofalo, Mariangela, Kuryk, Lukasz, Tähtinen, Siri, Pastore, Lucio, Bunker, Alex, Cerullo, Vincenzo

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Glycolipid Membranes through Atomistic Simulations:  Effect of Glucose and Galactose Head Groups on Lipid Bilayer Properties von Róg, Tomasz, Vattulainen, Ilpo, Bunker, Alex, Karttunen, Mikko

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Fluid dynamics modeling for synchronizing surface plasmon resonance and quartz crystal microbalance as tools for biomolecular and targeted drug delivery studies von Viitala, Tapani, Liang, Huamin, Gupta, Mayur, Zwinger, Thomas, Yliperttula, Marjo, Bunker, Alex

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Molecular dynamics, crystallography and mutagenesis studies on the substrate gating mechanism of prolyl oligopeptidase von Kaszuba, Karol, Róg, Tomasz, Danne, Reinis, Canning, Peter, Fülöp, Vilmos, Juhász, Tünde, Szeltner, Zoltán, St. Pierre, J.-F., García-Horsman, Arturo, Männistö, Pekka T., Karttunen, Mikko, Hokkanen, Jyrki, Bunker, Alex

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

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