Characterization of molecular association of poly(2-oxazoline)s-based micelles with various epoxides and diols via the Flory–Huggins theory: a molecular dynamics simulation approach

Steered Molecular Dynamics Simulations for Studying Protein–Ligand Interaction in Cyclin-Dependent Kinase 5

(2014) Jagdish Suresh Patel et al.   Journal of Chemical Information and Modeling

Molecular Simulation of the Transport of Drugs across Model Membranes

(2014) Sharon M. Loverde   Journal of Physical Chemistry Letters

Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciences

(2013) Art D. Bochevarov et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Prediction of Drug–Polymer Miscibility through the use of Solubility Parameter based Flory–Huggins Interaction Parameter and the Experimental Validation: PEG as Model Polymer

(2013) Seema Thakral et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Convergence of Free Energy Profile of Coumarin in Lipid Bilayer

(2012) Markéta Paloncýová et al.   Journal of Chemical Theory and Computation

Validation of a Novel Molecular Dynamics Simulation Approach for Lipophilic Drug Incorporation into Polymer Micelles

(2012) Aliya O. Kasimova et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics Simulation of Amorphous Indomethacin

(2012) Tian-Xiang Xiang et al.   MOLECULAR PHARMACEUTICS

Can drug molecules diffuse into the core of micelles?

(2012) Xin Dong Guo et al.   Soft Matter

Thermodynamic Analysis of Protegrin-1 Insertion and Permeation through a Lipid Bilayer

(2011) Victor Vivcharuk et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Shell Cross-Linked Micelle-Based Nanoreactors for the Substrate-Selective Hydrolytic Kinetic Resolution of Epoxides

(2011) Yu Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Poly(norbornene) block copolymer-based shell cross-linked micelles with Co(iii)–salen cores

(2011) Yu Liu et al.   Polymer Chemistry

Poly(2-oxazoline)s as Smart Bioinspired Polymers

(2010) Helmut Schlaad et al.   MACROMOLECULAR RAPID COMMUNICATIONS

Predicting the Formation and Stability of Amorphous Small Molecule Binary Mixtures from Computationally Determined Flory−Huggins Interaction Parameter and Phase Diagram

(2010) Katja Pajula et al.   MOLECULAR PHARMACEUTICS

Computational studies on self-assembled paclitaxel structures: Templates for hierarchical block copolymer assemblies and sustained drug release

(2009) Xin D. Guo et al.   BIOMATERIALS

Application of Molecular Dynamics Simulation To Predict the Compatability between Water-Insoluble Drugs and Self-Associating Poly(ethylene oxide)-b-poly(ε-caprolactone) Block Copolymers

(2008) Sarthak Patel et al.   BIOMACROMOLECULES

Synthesis and characterization of poly(2-ethyl 2-oxazoline)-conjugates with proteins and drugs: Suitable alternatives to PEG-conjugates?

(2007) Anna Mero et al.   JOURNAL OF CONTROLLED RELEASE