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Journal of Molecular Graphics & Modelling|April 29, 2022
Inhibitory mechanism of Ambroxol and Bromhexine Hydrochlorides as potent blockers of molecular interaction between SARS-CoV-2 spike protein and human angiotensin-converting Enzyme-2Idowu A Kehinde, Anu Egbejimi, Manvir Kaur, et al.Journal of Molecular Graphics & Modelling|July 15, 2010
Conformational study of methylphosphocholine: a prototype for phospholipid headgroups in membranesCinthia S Soares, Clarissa O da SilvaJournal of Molecular Graphics & Modelling|July 9, 2010
Evaluation of dispersion-corrected density functional theory (B3LYP-DCP) for compounds of biochemical interestSten O Nilsson LillJournal of Molecular Graphics & Modelling|October 2, 2010
Complementing ultrafast shape recognition with an optical isomerism descriptorTing Zhou, Karine Lafleur, Amedeo CaflischJournal of Molecular Graphics & Modelling|February 12, 2011
BINANA: a novel algorithm for ligand-binding characterizationJacob D Durrant, J Andrew McCammonJournal of Molecular Graphics & Modelling|December 28, 2010
Analysis of the stabilities of hexameric amyloid-β(1-42) models using discrete molecular dynamics simulationsSijung Yun, Sajung Yun, H Robert GuyJournal of Molecular Graphics & Modelling|January 11, 2011
Exploring the conformational changes of the ATP binding site of gyrase B from Escherichia coli complexed with different established inhibitors by using molecular dynamics simulation: protein-ligand interactions in the light of the alanine scanning and free energy decomposition methodsLiane Saíz-Urra, Miguel Angel Cabrera, Matheus FroeyenJournal of Molecular Graphics & Modelling|December 18, 2010
Differences in active-site microarchitecture explain the dissimilar behaviors of PBP5 and 6 in Escherichia coliChiranjit Chowdhury, Anindya S GhoshJournal of Molecular Graphics & Modelling|December 21, 2010
Studying the catechol binding cavity in comparative models of human dopamine D2 receptorAmirhossein Sakhteman, Maija Lahtela-Kakkonen, Antti PosoJournal of Molecular Graphics & Modelling|February 22, 2011
QSAR study of natural estrogen-like isoflavonoids and diphenolics from Thai medicinal plantsWanchai De-Eknamkul, Kaoru Umehara, Orawan Monthakantirat, et al.Pageof 407