国家/地区 India（2）
关键词 DFT（2） GRAPHENE（2） GRAPHENE OXIDE（2）
NANOCLUSTER（2）
出版物 JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS（4）
出版时间 2022（4）
机构
作者 MARY YS（2）

Time-dependent conformational analysis of ALK5-lumican complex in presence of graphene and graphene oxide employing molecular dynamics and MMPBSA calculation

JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS

SRIDHARAN S, NAGARAJAN SK, VENUGOPAL K, VENKATASUBBU GD

Theoretical model study of adsorbed antimalarial-graphene dimers: doping effects, photophysical parameters, intermolecular interactions, edge adsorption, and SERS

JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS

ULLAH Z, SONAWANE PM, MARY YS, MARY YS, MANE P, CHAKRABORTY B, CHURCHILL DG

Investigating the structure of the product of graphene oxide reaction with folic acid and chitosan: density functional theory calculations

JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS

HOSSEINI SM, SOLTANABADI A, ABDOUSS M, MAZINANI S

DFT computational study of trihalogenated aniline derivative's adsorption onto graphene/fullerene/fullerene-like nanocages, X12Y12 (X = Al, B, and Y = N, P)

JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS

ALOTAIBI JS, MARY YS, MARY YS, KAYA S, SERDAROGLU G