国家/地区 India（6） Iran（2）
关键词 DOCKING（10）
出版物 JOURNAL OF MOLECULA.（2） POLYCYCLIC AROMATIC.（2） SPECTROCHIMICA ACTA.（2）
出版时间 2020（3） 2022（2）
机构 FATIMA MATA .（3）
作者 MARY YS（7） ALOTAIBI JS（5） ALMUQRIN AH（4）

Understanding reactivity of a triazole derivative and its interaction with graphene and doped/undoped-coronene-a DFT study

JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS

MARY YS, MARY YS, ARMAKOVIC S, ARMAKOVIC SJ, NARAYANA B

Comprehensive quantum mechanical studies on three bioactive anastrozole based triazole analogues and their SERS active graphene complex

JOURNAL OF MOLECULAR STRUCTURE

ALOTAIBI JS, ALMUQRIN AH, MARY YS, MARY YS

Modeling the Conformational Preference, Spectral Analysis and Other Quantum Mechanical Studies on Three Bioactive Aminobenzoate Derivatives and Their SERS Active Graphene Complexes

POLYCYCLIC AROMATIC COMPOUNDS

ALOTAIBI JS, ALMUQRIN AH, MARY YS, MARY YS, THOMAS R

DFT and molecular docking studies of self-assembly of sulfone analogues and graphene

JOURNAL OF MOLECULAR MODELING

ALOTAIBI JS, ALMUQRIN AH, MARY YS, MARY YS, VAN ALSENOY C

Experimental and theoretical studies of electrochemical oxidation of nicotinamide adenine dinucleotide at the modified SWCNT and graphene oxide

JOURNAL OF MOLECULAR MODELING

KOCAK I, ALICI H

A novel mixed hemimicelles dispersive micro-solid phase extraction using ionic liquid functionalized magnetic graphene oxide/polypyrrole for extraction and pre-concentration of methotrexate from urine samples followed by the spectrophotometric method

CLINICA CHIMICA ACTA

HAMIDI S, AZAMI A, AGHDAM EM

Biophysical, bioinformatical, cellular, and molecular investigations on the effects of graphene oxide nanosheets on the hemoglobin structure and lymphocyte cell cytotoxicity

INTERNATIONAL JOURNAL OF NANOMEDICINE

BABADAEI MMN, MOGHADDAM MF, SOLHVAND S, ALIZADEHMOLLAYAGHOOB E, ATTAR F, RAJABBEIGI E, AKHTARI K, SARI S, FALAHATI M

Adsorption of Phenothiazine Derivatives on Graphene - DFT, Docking and MD Simulation

POLYCYCLIC AROMATIC COMPOUNDS

MARY YS, MARY YS

Adsorption properties of dacarbazine with graphene/fullerene/metal nanocages - Reactivity, spectroscopic and SERS analysis

SPECTROCHIMICA ACTA PART AMOLECULAR BIOMOLECULAR SPECTROSCOPY

ALOTAIBI JS, MARY YS, MARY YS, ULLAH Z, YADAV R, GUPTA N, CHURCHILL DG

DFT computational study towards investigating psychotropic drugs, promazine and trifluoperazine adsorption on graphene, fullerene and carbon cyclic ring nanoclusters

SPECTROCHIMICA ACTA PART AMOLECULAR BIOMOLECULAR SPECTROSCOPY

ALMUQRIN AH, ALOTAIBI JS, MARY YS, MARY YS