Multiscale simulations of biological membranes: the challenge to understand biological phenomena in a living substance
Biological membranes are tricky to investigate. They are complex in terms of molecular
composition and structure, functional over a wide range of time scales, and characterized by …
composition and structure, functional over a wide range of time scales, and characterized by …
Sonodynamic therapy: concept, mechanism and application to cancer treatment
Sonodynamic therapy (SDT) represents an emerging approach that offers the possibility of
non-invasively eradicating solid tumors in a site-directed manner. It involves the …
non-invasively eradicating solid tumors in a site-directed manner. It involves the …
Mechanistic understanding from molecular dynamics simulation in pharmaceutical research 1: drug delivery
In this review, we outline the growing role that molecular dynamics simulation is able to play
as a design tool in drug delivery. We cover both the pharmaceutical and computational …
as a design tool in drug delivery. We cover both the pharmaceutical and computational …
Ultrasound-based triggered drug delivery to tumors
Over the past few decades, applications of ultrasound (US) in drug delivery have been
documented widely for local and site-specific release of bioactives in a controlled manner …
documented widely for local and site-specific release of bioactives in a controlled manner …
Refined OPLS all-atom force field for saturated phosphatidylcholine bilayers at full hydration
A Maciejewski, M Pasenkiewicz-Gierula… - The Journal of …, 2014 - ACS Publications
We report parametrization of dipalmitoyl-phosphatidylcholine (DPPC) in the framework of
the Optimized Parameters for Liquid Simulations all-atom (OPLS-AA) force field. We chose …
the Optimized Parameters for Liquid Simulations all-atom (OPLS-AA) force field. We chose …
Mechanistic understanding from molecular dynamics in pharmaceutical research 2: lipid membrane in drug design
We review the use of molecular dynamics (MD) simulation as a drug design tool in the
context of the role that the lipid membrane can play in drug action, ie, the interaction …
context of the role that the lipid membrane can play in drug action, ie, the interaction …
[HTML][HTML] Behavior of the DPH fluorescence probe in membranes perturbed by drugs
Diphenyl-1, 3, 5-hexatriene (DPH) is one of the most commonly used fluorescent probes to
study dynamical and structural properties of lipid bilayers and cellular membranes via …
study dynamical and structural properties of lipid bilayers and cellular membranes via …
Recent advances in drug discovery of phototherapeutic non-porphyrinic anticancer agents
M Dichiara, O Prezzavento, A Marrazzo, V Pittala… - European Journal of …, 2017 - Elsevier
In the search of novel strategies for the treatment of cancer, photodynamic therapy (PDT)
has emerged as an effective, safe for repeated use, and non-invasive method. This …
has emerged as an effective, safe for repeated use, and non-invasive method. This …
Cis and trans unsaturated phosphatidylcholine bilayers: A molecular dynamics simulation study
Trans unsaturated lipids are uncommon in nature. In the human diet, they occur as natural
products of ruminal bacteria or from industrial food processing like hydrogenation of …
products of ruminal bacteria or from industrial food processing like hydrogenation of …
Exploring the mechanism of photosensitizer conjugation on membrane perturbation of antimicrobial peptide: A multiscale molecular simulation study
Antimicrobial peptides (AMPs) exert their biological functions by perturbation with cellular
membrane. Conjugation of AMPs with photosensitizer (PS) is a promising strategy for …
membrane. Conjugation of AMPs with photosensitizer (PS) is a promising strategy for …