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Stearylated cycloarginine nanosystems for intracellular delivery - simulations, formulation and proof of concept

RSC advances, 2016-01, Vol.6 (114), p.113538-11355

2016

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Enhanced anti-cancer vaccines with a new epitope improvement system

Annals of oncology, 2016-11, Vol.27, p.viii2-viii2

2016

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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

Biochimica et biophysica acta, 2016-10, Vol.1858 (10), p.2334-2352

2016

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Arginine-rich cell-penetrating peptides induce membrane multilamellarity and subsequently enter via formation of a fusion pore

Proceedings of the National Academy of Sciences - PNAS, 2018-11, Vol.115 (47), p.11923-11928

2018

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Determinants of Orexin Receptor Binding and ActivationA Molecular Dynamics Study

The journal of physical chemistry. B, 2019-03, Vol.123 (12), p.2609-2622

2019

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Cholesterol level affects surface charge of lipid membranes in saline solution

Scientific reports, 2014-05, Vol.4 (1), p.5005, Article 5005

2014

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Influence of doxorubicin on model cell membrane properties: insights from in vitro and in silico studies

Scientific reports, 2017-07, Vol.7 (1), p.6343-11, Article 6343

2017

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Automated Absolute Binding Free Energy Calculation Workflow for Drug Discovery

Journal of chemical information and modeling, 2024-07, Vol.64 (14), p.5357-5364

2024

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Evaluating the use of absolute binding free energy in the fragment optimisation process

Communications chemistry, 2022-09, Vol.5 (1), p.105-13, Article 105

2022

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Increased Binding of Calcium Ions at Positively Curved Phospholipid Membranes

The journal of physical chemistry letters, 2017-01, Vol.8 (2), p.518-523

2017

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Two cations, two mechanisms: interactions of sodium and calcium with zwitterionic lipid membranes

Chemical communications (Cambridge, England), 2017-05, Vol.53 (39), p.5380-5383

2017

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Mechanistic Insight into How PEGylation Reduces the Efficacy of pH-Sensitive Liposomes from Molecular Dynamics Simulations

Molecular pharmaceutics, 2021-07, Vol.18 (7), p.2612-2621

2021

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A computational study suggests that replacing PEG with PMOZ may increase exposure of hydrophobic targeting moiety

European journal of pharmaceutical sciences, 2017-05, Vol.103, p.128-135

2017

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A case of spontaneous coronary artery dissection in early pregnancy managed by PCI

Indian heart journal, 2016-09, Vol.68 (Suppl 2), p.S25-S27

2016

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Fragment Binding Pose Predictions Using Unbiased Simulations and Markov-State Models

Journal of chemical theory and computation, 2019-09, Vol.15 (9), p.4974-4981

2019

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Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability

Bioorganic & medicinal chemistry letters, 2024-11, Vol.112, p.129930, Article 129930

2024

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How happy is your web browsing? A model to quantify satisfaction of an Internet user searching for desired information

Physica A, 2012-09, Vol.391 (17), p.4215-4224

2012

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Analysis of cause of failure of new targeting peptide in PEGylated liposome: Molecular modeling as rational design tool for nanomedicine

European journal of pharmaceutical sciences, 2012-06, Vol.46 (3), p.121-130

2012

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Molecular Dynamics Simulation of PEGylated Membranes with Cholesterol: Building Toward the DOXIL Formulation

Journal of physical chemistry. C, 2014-07, Vol.118 (28), p.15541-15549

2014

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In Vitro and in Vivo Behavior of Liposomes Decorated with PEGs with Different Chemical Features

Molecular pharmaceutics, 2020-02, Vol.17 (2), p.472-487, Article acs.molpharmaceut.9b00887

2020

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Molecular Dynamics Simulation of PEGylated Bilayer Interacting with Salt Ions: A Model of the Liposome Surface in the Bloodstream

The journal of physical chemistry. B, 2012-04, Vol.116 (14), p.4212-4219

2012

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Glyceryl Monostearate: Probing the Self Assembly of a Lipid Amenable To Surface Modification for Hepatic Targeting

Journal of physical chemistry. C, 2018-09, Vol.122 (38), p.22160-22169

2018

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Hydrophobin film structure for HFBI and HFBII and mechanism for accelerated film formation

PLoS computational biology, 2014-07, Vol.10 (7), p.e1003745-e1003745

2014

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Membrane bound COMT isoform is an interfacial enzyme: general mechanism and new drug design paradigm

Chemical communications (Cambridge, England), 2018-04, Vol.54 (28), p.3440-3443

2018

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Molecular Dynamics Simulation of Inverse-Phosphocholine Lipids

Journal of physical chemistry. C, 2014-08, Vol.118 (33), p.19444-19449

2014

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Stearylated cycloarginine nanosystems for intracellular delivery - simulations, formulation and proof of concept

Enhanced anti-cancer vaccines with a new epitope improvement system

Rational design of liposomal drug delivery systems, a review: Combined experimental and computational studies of lipid membranes, liposomes and their PEGylation

Arginine-rich cell-penetrating peptides induce membrane multilamellarity and subsequently enter via formation of a fusion pore

Determinants of Orexin Receptor Binding and ActivationA Molecular Dynamics Study

Cholesterol level affects surface charge of lipid membranes in saline solution

Influence of doxorubicin on model cell membrane properties: insights from in vitro and in silico studies

Automated Absolute Binding Free Energy Calculation Workflow for Drug Discovery

Evaluating the use of absolute binding free energy in the fragment optimisation process

Increased Binding of Calcium Ions at Positively Curved Phospholipid Membranes

Two cations, two mechanisms: interactions of sodium and calcium with zwitterionic lipid membranes

Mechanistic Insight into How PEGylation Reduces the Efficacy of pH-Sensitive Liposomes from Molecular Dynamics Simulations

A computational study suggests that replacing PEG with PMOZ may increase exposure of hydrophobic targeting moiety

A case of spontaneous coronary artery dissection in early pregnancy managed by PCI

Fragment Binding Pose Predictions Using Unbiased Simulations and Markov-State Models

Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability

How happy is your web browsing? A model to quantify satisfaction of an Internet user searching for desired information

Analysis of cause of failure of new targeting peptide in PEGylated liposome: Molecular modeling as rational design tool for nanomedicine

Molecular Dynamics Simulation of PEGylated Membranes with Cholesterol: Building Toward the DOXIL Formulation

In Vitro and in Vivo Behavior of Liposomes Decorated with PEGs with Different Chemical Features

Molecular Dynamics Simulation of PEGylated Bilayer Interacting with Salt Ions: A Model of the Liposome Surface in the Bloodstream

Glyceryl Monostearate: Probing the Self Assembly of a Lipid Amenable To Surface Modification for Hepatic Targeting

Hydrophobin film structure for HFBI and HFBII and mechanism for accelerated film formation

Membrane bound COMT isoform is an interfacial enzyme: general mechanism and new drug design paradigm

Molecular Dynamics Simulation of Inverse-Phosphocholine Lipids

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