Molecular dynamic simulation of micellar solutions: A coarse-grain model

S. V. Burov; N. P. Obrezkov; A. A. Vanin; E. M. Piotrovskaya

doi:10.1134/s1061933x08010018

Molecular dynamic simulation of micellar solutions: A coarse-grain model

Colloid Journal ◽

10.1134/s1061933x08010018 ◽

2008 ◽

Vol 70 (1) ◽

pp. 1-5 ◽

Cited By ~ 14

Author(s):

S. V. Burov ◽

N. P. Obrezkov ◽

A. A. Vanin ◽

E. M. Piotrovskaya

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Coarse Grain ◽

Micellar Solutions ◽

Grain Model

Download Full-text

A coarse-grain MD (molecular dynamic) simulation of PCL–PEG and PLA–PEG aggregation as a computational model for prediction of the drug-loading efficacy of doxorubicin

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2018.1541762 ◽

2019 ◽

Vol 37 (16) ◽

pp. 4215-4221 ◽

Cited By ~ 1

Author(s):

Seyed Mohammad Ebrahim Kamrani ◽

Farzin Hadizadeh

Keyword(s):

Computational Model ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Drug Loading ◽

Coarse Grain

Download Full-text

Diffusivities of species in ionic micellar solutions: Molecular dynamic simulation

Colloids and Surfaces A Physicochemical and Engineering Aspects ◽

10.1016/j.colsurfa.2014.10.030 ◽

2015 ◽

Vol 480 ◽

pp. 165-170 ◽

Cited By ~ 9

Author(s):

Nikolai A. Volkov ◽

Boris B. Divinskiy ◽

Pavel N. Vorontsov-Velyaminov ◽

Alexander K. Shchekin

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Micellar Solutions

Download Full-text

From All Atom to Coarse Grain: Molecular Dynamic Simulation of Imprinting Process on a Silica Xerogel

10.3390/mol2net-04-06006 ◽

2018 ◽

Author(s):

Riccardo Concu ◽

Maria Natalia Dias Soeiro Cordeiro

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Silica Xerogel ◽

Coarse Grain

Download Full-text

P-gp Lipid Uptake Pathways Determined by Coarse-Grain Molecular Dynamic Simulation

Biophysical Journal ◽

10.1016/j.bpj.2016.11.2100 ◽

2017 ◽

Vol 112 (3) ◽

pp. 386a

Author(s):

Estefania Barreto Ojeda ◽

Valentina Corradi ◽

Ruo-Xu Gu ◽

Peter Tieleman

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Coarse Grain ◽

Lipid Uptake

Download Full-text

CHARACTERIZATION OF COARSE GRAIN MOLECULAR DYNAMIC SIMULATION PERFORMANCE ON GRAPHIC PROCESSING UNIT ARCHITECTURES

Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms ◽

10.5220/0003790703390342 ◽

2012 ◽

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Graphic Processing Unit ◽

Coarse Grain ◽

Processing Unit ◽

Simulation Performance ◽

Graphic Processing

Download Full-text

Molecular Dynamic Simulation and Spectroscopic Investigation of Some Cytotoxic Palladium(II) Complexes Interaction with Human Serum Albumin

Combinatorial Chemistry & High Throughput Screening ◽

10.2174/1386207317666140926124647 ◽

2014 ◽

Vol 17 (9) ◽

pp. 781-789 ◽

Cited By ~ 4

Author(s):

Mahboube Eslami Moghadam ◽

Maryam Saidifar ◽

Faramarz Rostami-Charati ◽

Davoud Ajloo ◽

Maryam Ghadamgahi

Keyword(s):

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Spectroscopic Investigation

Download Full-text

Modeling and Proposed Molecular Mechanism of Hydroxyurea Through Docking and Molecular Dynamic Simulation to Curtail the Action of Ribonucleotide Reductase

Recent Patents on Anti-Cancer Drug Discovery ◽

10.2174/1574892811666160926143534 ◽

2016 ◽

Vol 11 (4) ◽

pp. 461-468 ◽

Cited By ~ 3

Author(s):

Maryam Iman ◽

Zeynab Khansefid ◽

Asghar Davood

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Molecular Mechanism ◽

Dynamic Simulation ◽

Ribonucleotide Reductase

Download Full-text

Molecular interaction in binary mixtures of 3-Bromoanisole and methanol: A microwave dielectric relaxation spectroscopy and molecular dynamic simulation study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.115186 ◽

2021 ◽

Vol 325 ◽

pp. 115186

Author(s):

H.P. Vankar ◽

V.A. Rana ◽

S. Dey ◽

H.D. Patel ◽

V.K. Jain

Keyword(s):

Dielectric Relaxation ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Binary Mixtures ◽

Dynamic Simulation ◽

Simulation Study ◽

Molecular Interaction ◽

Dielectric Relaxation Spectroscopy ◽

Microwave Dielectric ◽

Molecular Dynamic Simulation Study

Download Full-text

A potential anticancer dihydropyrimidine derivative and its protein binding mechanism by multispectroscopic, molecular docking and molecular dynamic simulation along with its in-silico toxicity and metabolic profile

European Journal of Pharmaceutical Sciences ◽

10.1016/j.ejps.2020.105686 ◽

2021 ◽

Vol 158 ◽

pp. 105686

Author(s):

Tanveer A. Wani ◽

Nawaf Alsaif ◽

Mohammed M. Alanazi ◽

Ahmed H. Bakheit ◽

Seema Zargar ◽

...

Keyword(s):

Molecular Docking ◽

Protein Binding ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

In Silico ◽

Metabolic Profile ◽

Binding Mechanism ◽

In Silico Toxicity

Download Full-text

Solid-liquid phase equilibrium of nimesulide (Form I) in twelve mono-solvents: Solubility determination, molecular dynamic simulation, solvent effect, model correlation and thermodynamic analysis

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.115480 ◽

2021 ◽

Vol 330 ◽

pp. 115480

Author(s):

Jiao Sha ◽

Di Fan ◽

Jingyi Zhang ◽

Zidan Cao ◽

Yameng Wan ◽

...

Keyword(s):

Phase Equilibrium ◽

Liquid Phase ◽

Solvent Effect ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Effect Model ◽

Solubility Determination ◽

Solid Liquid ◽

Model Correlation

Download Full-text