Construction of the small intestine on molecular dynamics simulation and preliminary exploration of drug intestinal absorption prediction

Insights into membrane-bound presenilin 2 from all-atom molecular dynamics simulations

(2019) Budheswar Dehury et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Coarse-grained molecular dynamics simulations of the effect of edge activators on the skin permeation behavior of transfersomes

(2019) Chang Yang et al.   COLLOIDS AND SURFACES B-BIOINTERFACES

Intestinal absorption mechanisms of araloside A in situ single-pass intestinal perfusion and in vitro Caco-2 cell model

(2018) Hui Yang et al.   BIOMEDICINE & PHARMACOTHERAPY

Dissipative Particle Dynamics Study on Platycodin’s Solubilization Enhancing Effect Towards Five Drug Components

(2018) Zhimin Wu et al.   CHEMICAL RESEARCH IN CHINESE UNIVERSITIES

Investigation of the absorption of resveratrol oligomers in the Caco-2 cellular model of intestinal absorption

(2015) Ina Willenberg et al.   FOOD CHEMISTRY

CHARMM-GUI Martini Maker for Coarse-Grained Simulations with the Martini Force Field

(2015) Yifei Qi et al.   Journal of Chemical Theory and Computation

Computer-Assisted Drug Formulation Design: Novel Approach in Drug Delivery

(2015) Abdelkader A. Metwally et al.   MOLECULAR PHARMACEUTICS

Lipid Clustering Correlates with Membrane Curvature as Revealed by Molecular Simulations of Complex Lipid Bilayers

(2014) Heidi Koldsø et al.   PLoS Computational Biology

Intestinal absorption and bioavailability of traditional Chinese medicines: a review of recent experimental progress and implication for quality control

(2012) Jing-Yi Liu et al.   JOURNAL OF PHARMACY AND PHARMACOLOGY

Molecular dynamics simulations of local anesthetic articaine in a lipid bilayer

(2010) Enamul H. Mojumdar et al.   BIOPHYSICAL CHEMISTRY

Partitioning of Nonsteroidal Antiinflammatory Drugs in Lipid Membranes: A Molecular Dynamics Simulation Study

(2010) Mohan Babu Boggara et al.   BIOPHYSICAL JOURNAL

CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes

(2009) Sunhwan Jo et al.   BIOPHYSICAL JOURNAL

GridMAT-MD: A grid-based membrane analysis tool for use with molecular dynamics

(2008) William J. Allen et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY