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Journal of Molecular Graphics & Modelling|November 23, 2005
Computation of through-space NMR shielding effects by functional groups common to peptidesNed H Martin, David M Loveless, Kristin L Main, et al.Journal of Molecular Graphics & Modelling|March 16, 2010
Molecular dynamics and density functional theory studies of substrate binding and catalysis of human brain aspartoacylaseCheng-hua Zhang, Jie-ying Gao, Ze-qin Chen, et al.Journal of Molecular Graphics & Modelling|February 9, 2010
Virtual screening and selection of drug-like compounds to block noggin interaction with bone morphogenetic proteinsShaila Ahmed, Raghu Prasad Rao Metpally, Sreedhara Sangadala, et al.Journal of Molecular Graphics & Modelling|March 9, 2010
PhDD: a new pharmacophore-based de novo design method of drug-like molecules combined with assessment of synthetic accessibilityQi Huang, Lin-Li Li, Sheng-Yong YangJournal of Molecular Graphics & Modelling|March 9, 2010
Stereoelectronic interaction effects on the conformational properties of hydrogen peroxide and its analogues containing S and Se atoms: an ab initio, hybrid-DFT study and NBO analysisDavood Nori-Shargh, Hooriye Yahyaei, James E BoggsJournal of Molecular Graphics & Modelling|December 29, 2009
Quantum mechanical calculations of the cephalosporin nucleusI A Gad El-karim, A A Aly, M S Amine, et al.Journal of Molecular Graphics & Modelling|December 29, 2009
Molecular docking study for the prediction of enantiodifferentiation of chiral styrene oxides by octakis(2,3-di-O-acetyl-6-O-tert-butyldimethylsilyl)-gamma-cyclodextrinNatthapol Issaraseriruk, Aroonsiri Shitangkoon, Thammarat AreeJournal of Molecular Graphics & Modelling|June 16, 2017
Specific interactions between zinc metalloproteinase and its inhibitors: Ab initio fragment molecular orbital calculationsAyami Ara, Ryushi Kadoya, Hiromi Ishimura, et al.Journal of Molecular Graphics & Modelling|June 18, 2017
Factors responsible for the aggregation behavior of hydrophobic polyelectrolyte PEA in aqueous solution studied by molecular dynamics simulationsPraveenkumar Sappidi, Upendra NatarajanJournal of Molecular Graphics & Modelling|April 13, 2018
In silico design of small peptides antagonist against leptin receptor for the treatment of obesity and its associated immune-mediated diseasesManne Munikumar, Vagolu Siva Krishna, Varikasuvu Seshadri Reddy, et al.Pageof 400