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Journal of Molecular Graphics & Modelling|January 22, 2008
Is it possible to increase hit rates in structure-based virtual screening by pharmacophore filtering? An investigation of the advantages and pitfalls of post-filteringDaniel Muthas, Yogesh A Sabnis, Magnus Lundborg, et al.Journal of Molecular Graphics & Modelling|March 11, 2008
The importance of the domain of applicability in QSAR modelingShane Weaver, M Paul GleesonJournal of Molecular Graphics & Modelling|March 11, 2008
Model of the extracellular domain of the human alpha7 nAChR based on the crystal structure of the mouse alpha1 nAChR extracellular domainMaria Konstantakaki, Socrates J Tzartos, Konstantinos Poulas, et al.Journal of Molecular Graphics & Modelling|February 6, 2008
Binding modes of CCR5-targetting HIV entry inhibitors: partial and full antagonistsTing Wang, Yong DuanJournal of Molecular Graphics & Modelling|February 18, 2014
Discovery of novel anti-leishmanial agents targeting LdLip3 lipaseSaravanan Parameswaran, Prakash Saudagar, Vikash Kumar Dubey, et al.Journal of Molecular Graphics & Modelling|March 25, 2017
Studying the adsorption of DNA nanostructures on graphene in the aqueous phase using molecular dynamic simulationsJixue Sun, Yang Li, Jianping LinJournal of Molecular Graphics & Modelling|April 4, 2017
Systematic profiling of substrate binding response to multidrug-resistant mutations in HIV-1 protease: Implication for combating drug resistanceYonglei Lv, Jianbing Li, Jianhua Fang, et al.Journal of Molecular Graphics & Modelling|March 2, 2017
A DFT study on the central-ring doped HBC nanographenesA Hosseinian, A Bekhradnia, E Vessally, et al.Journal of Molecular Graphics & Modelling|January 28, 2017
Prediction of enthalpies of sublimation of high-nitrogen energetic compounds: Modified Politzer modelMarina A Suntsova, Olga V DorofeevaJournal of Molecular Graphics & Modelling|January 28, 2017
Multi-step virtual screening to develop selective DYRK1A inhibitorsTomoko Koyama, Noriyuki Yamaotsu, Izumi Nakagome, et al.Pageof 400