Computational modeling in glioblastoma: from the prediction of blood–brain barrier permeability to the simulation of tumor behavior

Free-energy patterns in inclusion complexes: the relevance of non-included moieties in the stability constants

(2017) Tânia F. G. G. Cova et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular simulation of nonfacilitated membrane permeation

(2016) Ernest Awoonor-Williams et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

CAT3, a novel agent for medulloblastoma and glioblastoma treatment, inhibits tumor growth by disrupting the Hedgehog signaling pathway

(2016) Ju Chen et al.   CANCER LETTERS

Mathematical Modeling of GBM Treatment: Assessing the Contributions of Radiation Therapy and the Extent of Surgical Resection

(2016) L. Hathout et al.   INTERNATIONAL JOURNAL OF RADIATION ONCOLOGY BIOLOGY PHYSICS

Computing the blood brain barrier (BBB) diffusion coefficient: A molecular dynamics approach

(2016) Amir Shamloo et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Monte-Carlo model development for evaluation of current clinical target volume definition for heterogeneous and hypoxic glioblastoma

(2016) L Moghaddasi et al.   PHYSICS IN MEDICINE AND BIOLOGY

Mathematical Modelling of a Brain Tumour Initiation and Early Development: A Coupled Model of Glioblastoma Growth, Pre-Existing Vessel Co-Option, Angiogenesis and Blood Perfusion

(2016) Yan Cai et al.   PLoS One

Opening of the Blood-Brain Barrier Tight Junction Due to Shock Wave Induced Bubble Collapse: A Molecular Dynamics Simulation Study

(2015) Ardeshir Goliaei et al.   ACS Chemical Neuroscience

Permeability of the Blood–Brain Barrier: Molecular Mechanism of Transport of Drugs and Physiologically Important Compounds

(2015) Clifford W. Fong   JOURNAL OF MEMBRANE BIOLOGY

Blood–brain barrier permeability mechanisms in view of quantitative structure–activity relationships (QSAR)

(2015) Renata Bujak et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

In silicoanalysis suggests differential response to bevacizumab and radiation combination therapy in newly diagnosed glioblastoma

(2015) Andrea Hawkins-Daarud et al.   Journal of the Royal Society Interface

Molecular Docking and Structure-Based Drug Design Strategies

(2015) Leonardo Ferreira et al.   MOLECULES

Glioblastoma multiforme: Pathogenesis and treatment

(2015) Constantinos Alifieris et al.   PHARMACOLOGY & THERAPEUTICS

A Method to Predict Blood-Brain Barrier Permeability of Drug-Like Compounds Using Molecular Dynamics Simulations

(2014) Timothy S. Carpenter et al.   BIOPHYSICAL JOURNAL

In silico modeling predicts drug sensitivity of patient-derived cancer cells

(2014) Sandeep C Pingle et al.   Journal of Translational Medicine

Molecular Modeling and Ligand Docking for Solute Carrier (SLC) Transporters

(2013) Avner Schlessinger et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Similarities and differences of serotonin and its precursors in their interactions with model membranes studied by molecular dynamics simulation

(2013) Irene Wood et al.   JOURNAL OF MOLECULAR STRUCTURE

Mathematical modelling of spatio-temporal glioma evolution

(2013) Maria Papadogiorgaki et al.   Theoretical Biology and Medical Modelling

Can we predict blood brain barrier permeability of ligands using computational approaches?

(2013) Rajnish Kumar et al.   Interdisciplinary Sciences-Computational Life Sciences

Predicting Efflux Ratios and Blood-Brain Barrier Penetration from Chemical Structure: Combining Passive Permeability with Active Efflux by P-Glycoprotein

(2012) Elena Dolghih et al.   ACS Chemical Neuroscience

Mathematical Modeling of Human Glioma Growth Based on Brain Topological Structures: Study of Two Clinical Cases

(2012) Cecilia Suarez et al.   PLoS One

Multiscale Cancer Modeling

(2011) Thomas S. Deisboeck et al.   Annual Review of Biomedical Engineering

Integrating structure-based and ligand-based approaches for computational drug design

(2011) Gregory L Wilson et al.   Future Medicinal Chemistry

In Vitro Blood–Brain Barrier Models: Current and Perspective Technologies

(2011) Pooja Naik et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Predicting Binding to P-Glycoprotein by Flexible Receptor Docking

(2011) Elena Dolghih et al.   PLoS Computational Biology

Brain drug targeting: a computational approach for overcoming blood–brain barrier

(2009) Ahmad Reza Mehdipour et al.   DRUG DISCOVERY TODAY

Distribution and Dynamics of Adamantanes in a Lipid Bilayer

(2008) Chee Foong Chew et al.   BIOPHYSICAL JOURNAL

QSAR Modeling of the Blood–Brain Barrier Permeability for Diverse Organic Compounds

(2008) Liying Zhang et al.   PHARMACEUTICAL RESEARCH

Biocomputing: numerical simulation of glioblastoma growth using diffusion tensor imaging

(2008) Pierre-Yves Bondiau et al.   PHYSICS IN MEDICINE AND BIOLOGY