国家/地区 Iran（15）
关键词 MOLECULAR DYNAMICS SIMULATION（15）
出版物 APPLIED SURFACE SCI.（4） JOURNAL OF BIOMOLEC.（3） JOURNAL OF MOLECULA.（3）
出版时间 2020（6） 2017（4） 2021（2）
机构 UNIV BIRJAND（13）
作者 RAISSI H（15）

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