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Journal of Molecular Graphics & Modelling|March 2, 2010
Molecular orbital model of the influence of interaction between O2 and aluminosilicate sites on the triplet-singlet energy gap and reactivityYoana Pérez-Badell, Rachel Crespo-Otero, Enrique Méndez-Vega, et al.Journal of Molecular Graphics & Modelling|June 4, 2018
Use of the UNRES force field in template-assisted prediction of protein structures and the refinement of server models: Test with CASP12 targetsAgnieszka Karczyńska, Magdalena A Mozolewska, Paweł Krupa, et al.Journal of Molecular Graphics & Modelling|June 24, 2018
A molecular dynamics simulation study of amino acid selectivity of LeuRS editing domain from Thermus thermophilusAlexey Rayevsky, Mohsen Sharifi, Michael TukaloJournal of Molecular Graphics & Modelling|August 23, 2003
Computer-aided design of a factor Xa inhibitor by using MCSS functionality maps and a CAVEAT linker searchYasunobu Takano, Masahiro Koizumi, Reiko Takarada, et al.Journal of Molecular Graphics & Modelling|August 23, 2003
An NMR shielding model for protons above the plane of a carbonyl groupNed H Martin, Noah W Allen, Justin D Brown, et al.Journal of Molecular Graphics & Modelling|November 3, 2007
Structure and electronic properties of "DNA-gold-nanotube" systems: a quantum chemical analysisP Pannopard, P Khongpracha, M Probst, et al.Journal of Molecular Graphics & Modelling|October 16, 2007
Modeling binding modes of angiotensin II and pseudopeptide analogues to the AT2 receptorChristian Sköld, Gregory Nikiforovich, Anders KarlénJournal of Molecular Graphics & Modelling|September 9, 2008
3D QSAR studies of 1,3,4-benzotriazepine derivatives as CCK2 receptor antagonistsKirandeep Kaur, Tanaji T TaleleJournal of Molecular Graphics & Modelling|November 21, 2007
Pharmacophore design and database searching for selective monoamine neurotransmitter transporter ligandsIain J A Macdougall, Renate GriffithJournal of Molecular Graphics & Modelling|July 16, 2008
A simple method of estimating sampling consistency based on free energy map distanceWon-Joon Son, Soonmin Jang, Seokmin ShinPageof 400