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Journal of Molecular Modeling|September 29, 2011
Characteristic vibration patterns of odor compounds from bread-baking volatiles upon protein binding: density functional and ONIOM study and principal component analysisWitcha Treesuwan, Hajime Hirao, Keiji Morokuma, et al.Nanomedicine : Nanotechnology, Biology, and Medicine|September 21, 2010
Binding of huperzine A and galanthamine to acetylcholinesterase, based on ONIOM methodNareerat Kitisripanya, Pachareenart Saparpakorn, Peter Wolschann, et al.Journal of Biomolecular Structure & Dynamics|August 22, 2015
Structural insights into the interactions of phorbol ester and bryostatin complexed with protein kinase C: a comparative molecular dynamics simulation studyPatcharapong Thangsunan, Suriya Tateing, Supa Hannongbua, et al.Journal of Molecular Graphics & Modelling|December 9, 2017
QM/MM modeling of the hydrolysis and transfructosylation reactions of fructosyltransferase from Aspergillus japonicas, an enzyme that produces prebiotic fructooligosaccharideJitrayut Jitonnom, James R Ketudat-Cairns, Supa HannongbuaJournal of Molecular Graphics & Modelling|June 26, 2016
QM/MM investigation of the reaction rates of substrates of 2,3-dimethylmalate lyase: A catabolic protein isolated from Aspergillus nigerWarot Chotpatiwetchkul, Nathjanan Jongkon, Supa Hannongbua, et al.Chemical Research in Toxicology|January 14, 2014
Skin sensitization prediction using quantum chemical calculations: a theoretical model for the S(N)Ar domainMalinee Promkatkaew, Duangkamol Gleeson, Supa Hannongbua, et al.Journal of Chemical Information and Modeling|October 6, 2009
3D pharmacophore mapping using 4D QSAR analysis for the cytotoxicity of lamellarins against human hormone-dependent T47D breast cancer cellsPoonsiri Thipnate, Jianzhong Liu, Supa Hannongbua, et al.Cellular and Molecular Bioengineering|November 14, 2019
Simulation Study of Interactions Between Two Bioactive Components from <i>Zingiber cassumunar</i> and 5-LipoxygenaseKulpavee Jitapunkul, Orapan Poachanukoon, Supa Hannongbua, et al.Molecules (Basel, Switzerland)|April 30, 2010
Elucidating drug-enzyme interactions and their structural basis for improving the affinity and potency of isoniazid and its derivatives based on computer modeling approachesAuradee Punkvang, Patchreenart Saparpakorn, Supa Hannongbua, et al.Journal of Molecular Graphics & Modelling|November 12, 2016
A novel prediction approach for antimalarial activities of Trimethoprim, Pyrimethamine, and Cycloguanil analogues using extremely randomized treesCholwich Nattee, Nirattaya Khamsemanan, Luckhana Lawtrakul, et al.Pageof 12