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Journal of Molecular Graphics & Modelling|January 13, 2022
Alpha-lipoic acid analogues in the regulation of redox balance in epilepsy: A molecular docking and simulation studyMuhammad Shahid Javaid, Ana Antonic-Baker, Eleni Pitsillou, et al.Journal of Molecular Graphics & Modelling|December 6, 2021
II-VI core/shell quantum dots and doping with transition metal ions as a means of tuning the magnetoelectronic properties of CdS/ZnS core/shell QDs: A DFT studyPragati Malik, Rakhi Thareja, Jyoti Singh, et al.Journal of Molecular Graphics & Modelling|December 11, 2021
Enhancement of absorption capacity, optical and non-linear optical properties of graphene oxide nanosheetCrevain Souop Tala Foadin, Fridolin Tchangnwa Nya, Alhadji Malloum, et al.Journal of Molecular Graphics & Modelling|July 30, 2011
Estimation of boiling points using density functional theory with polarized continuum model solvent correctionsPoh Yin Chan, Chi Ming Tong, Marcus C DurrantJournal of Molecular Graphics & Modelling|October 4, 2011
Identification of amino acid residues of a designed ankyrin repeat protein potentially involved in intermolecular interactions with CD4: analysis by molecular dynamics simulationsPiyarat Nimmanpipug, Chalermpon Khampa, Vannajan Sanghiran Lee, et al.Journal of Molecular Graphics & Modelling|February 7, 2012
Molecular modeling study on the possible polymers formed during the electropolymerization of 3-hydroxyphenylacetic acidDeusmaque Carneiro Ferreira, Antonio Eduardo da Hora Machado, Fernanda de Souza Tiago, et al.Journal of Molecular Graphics & Modelling|February 7, 2012
Exploring the structure requirement for PKCθ inhibitory activity of pyridinecarbonitrile derivatives: an in silico analysisYan Li, Ming Hao, Hong Ren, et al.Journal of Molecular Graphics & Modelling|April 7, 2012
Relationship between the structure and the enzymatic activity of crotoxin complex and its phospholipase A2 subunit: an in silico approachJaime Andrés Pereañez, Iván Dario Gómez, Arley Camilo PatiñoJournal of Molecular Graphics & Modelling|July 19, 2011
Insight into mechanism of small molecule inhibitors of the MDM2-p53 interaction: molecular dynamics simulation and free energy analysisJianzhong Chen, Jinan Wang, Beisi Xu, et al.Journal of Molecular Graphics & Modelling|July 19, 2011
Discrimination of agonists versus antagonists of nicotinic ligands based on docking onto AChBP structuresAntoine Taly, Claire Colas, Thérèse Malliavin, et al.Pageof 408