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 …
A Customized Symmetric Passivator to Improve the Efficiency and Stability of Inorganic CsPbI2Br Perovskite Solar Cells
A Sabri, C Zhang, A Sadrmousavi-Dizaj, J Duan… - Renewable Energy, 2025 - Elsevier
Defects in third-generation perovskite-based solar cells are mainly due to the weak
interconnections in their constituent structure and insufficient resistance to environmental …
interconnections in their constituent structure and insufficient resistance to environmental …
Effect of COF presence on DNA molecular interactions: a QM/MM and MD simulations study
R Ghadari, E Mohsenzadeh - ChemistrySelect, 2021 - Wiley Online Library
Four models of DNA including A‐DNA, B‐DNA, Triple helix‐DNA (T‐DNA), and Z‐DNA
along with a COF molecule were prepared. Molecular dynamics simulations were performed …
along with a COF molecule were prepared. Molecular dynamics simulations were performed …
Evaluation of Interactions between Amid/Acid Hydrogel with Bicalotamide Anticancer Drug Using Molecular Dynamics
R Ghadari, S Ahmadzadeh - Modares Journal of Biotechnology, 2023 - biot.modares.ac.ir
Designing new drug delivery systems is important; therefore, in the present study the
interaction between an anti-cancer drug, bicalutamide, and an amide/acid hydrogel was …
interaction between an anti-cancer drug, bicalutamide, and an amide/acid hydrogel was …
بررسی برهمکنش های موجود مابین هیدروژل آمیدی/اسیدی با داروی ضدسرطان بی کالوتامید با استفاده از روش دینامیک مولکولی
قدری, احمدزاده - زیست‌فناوری, 2023 - biot.modares.ac.ir
با توجه به اهمیت طراحی سیستم های دارو رسانی، در مطالعه حاضر برهمکنش بین داروی ضدسرطان بی
کالوتامید و یک سیستم هیدروژلی آمیدی/اسیدی با استفاده از روش داکینگ و شبیه سازی دینامیک …
کالوتامید و یک سیستم هیدروژلی آمیدی/اسیدی با استفاده از روش داکینگ و شبیه سازی دینامیک …
Copper on Carbamate-Isocyanurate-Bridged Periodic Mesoporous Organosilica: An Efficient Catalyst for Sustainable and Selective Alcohol Oxidation
A Zebardasti, P Dekamin, G Mohammad - Available at SSRN 3919708 - papers.ssrn.com
Carbamate-isocyanate bridged organosiloxane precursor was reacted with
tetraethyorthosilicate (TEOS) for synthesis of a hybrid organic-inorganic periodic …
tetraethyorthosilicate (TEOS) for synthesis of a hybrid organic-inorganic periodic …