国家/地区 Iran（13）
关键词 MOLECULAR DYNAMICS SIMULATION（13）
出版物 APPLIED SURFACE SCI.（4） JOURNAL OF BIOMOLEC.（3）
出版时间 2020（6） 2017（4）
机构 UNIV BIRJAND（13）
作者 RAISSI H（13） SHAHABI M（5） HASHEMZADEH .（4） HASANZADE Z（3）
ZABOLI M（2）

Predicting the efficiency of polyethylene glycol-functionalised graphene in delivery of temozolomide anticancer drug and investigating the effect of pH on the drug release process: DFT and free energy calculations

MOLECULAR SIMULATION

SABERINASAB A, RAISSI H, HASHEMZADEH H

Theoretical elucidation of the amino acid interaction with graphene and functionalized graphene nanosheets: insights from DFT calculation and MD simulation

AMINO ACIDS

KAMEL M, RAISSI H, HASHEMZADEH H, MOHAMMADIFARD K

Payload delivery of anticancer drug Tegafur with the assistance of graphene oxide nanosheet during biomembrane penetration: Molecular dynamics simulation survey

APPLIED SURFACE SCIENCE

SHAHABI M, RAISSI H

Probing the adsorption and release mechanisms of cytarabine anticancer drug on/from dopamine functionalized graphene oxide as a highly efficient drug delivery system

JOURNAL OF MOLECULAR LIQUIDS

ZABOLI M, RAISSI H, MOGHADDAM NR, FARZAD F

Understanding loading, diffusion and releasing of Doxorubicin and Paclitaxel dual delivery in graphene and graphene oxide carriers as highly efficient drug delivery systems

APPLIED SURFACE SCIENCE

HASHEMZADEH H, RAISSI H

Understanding co-loading of doxorubicin and camptothecin on graphene and folic acid-conjugated graphene for targeting drug delivery: classical MD simulation and DFT calculation

JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS

ALINEJAD A, RAISSI H, HASHEMZADEH H

Assessment of the chitosan-functionalized graphene oxide as a carrier for loading thioguanine, an antitumor drug and effect of urea on adsorption process: Combination of DFT computational and molecular dynamics simulation studies

JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS

HASANZADE Z, RAISSI H

Theoretical investigation insights into the temperature triggered tegafur anticancer drug release from the surface of graphene oxide nanosheet

JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS

SHAHABI M, RAISSI H

Comprehensive theoretical prediction of the dynamics and stability properties of Tegafur pharmaceutical agent on the Graphene based nanostructures in aqueous environment

APPLIED SURFACE SCIENCE

SHAHABI M, RAISSI H

Solvent/co-solvent effects on the electronic properties and adsorption mechanism of anticancer drug Thioguanine on Graphene oxide surface as a nanocarrier: Density functional theory investigation and a molecular dynamics

APPLIED SURFACE SCIENCE

HASANZADE Z, RAISSI H