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Journal of Molecular Graphics & Modelling|February 8, 2018
The reaction pathways of the oxygen reduction reaction on IrN4 doped divacancy graphene: A theoretical studyShize Liu, Lin Cheng, Kai Li, et al.Journal of Molecular Graphics & Modelling|January 12, 2018
Adsorption and separation of n/iso-pentane on zeolites: A GCMC studyHui Fu, Hansong Qin, Yajun Wang, et al.Journal of Molecular Graphics & Modelling|January 12, 2018
Elucidating the interfaces involved in CARD-CARD interactions mediated by NLRP1 and Caspase-1 using molecular dynamics simulationJitendra MaharanaJournal of Molecular Graphics & Modelling|January 13, 2018
Comparison of effects of charge delocalization and π-electron delocalization on the stability of monocyclic compoundsYounes ValadbeigiJournal of Molecular Graphics & Modelling|January 13, 2018
Transcriptome-wide identification and competitive disruption of sacum-binding partners in human colorectal cancerYinguang Zhang, Yongwang Zhang, Yuxiang ZhangJournal of Molecular Graphics & Modelling|January 13, 2018
Activity-based classification circumvents affinity prediction problems for pyrrolidine carboxamide inhibitors of InhAYogesh Narkhede, Benjamin Merget, Steffen Wagner, et al.Journal of Molecular Graphics & Modelling|January 13, 2018
Does high pressure have any effect on the structure of alpha amylase and its ability to binding to the oligosaccharides having 3-7 residues? Molecular dynamics studyS Hooman Vahidi, Mohammad Reza Bozorgmehr, Ali Morsali, et al.Journal of Molecular Graphics & Modelling|January 13, 2018
FilTer BaSe: A web accessible chemical database for small compound librariesBaban S Kolte, Sanjay R Londhe, Bhushan R Solanki, et al.Journal of Molecular Graphics & Modelling|January 15, 2018
Structural and quantum mechanical computations to elucidate the altered binding mechanism of metal and drug with pyrazinamidase from Mycobacterium tuberculosis due to mutagenicityNouman Rasool, Saima Iftikhar, Anam Amir, et al.Journal of Molecular Graphics & Modelling|December 12, 2018
Molecular modelling and competitive inhibition of a Mycobacterium tuberculosis multidrug-resistance efflux pumpJoāo Luís Rheingantz Scaini, Alex Dias Camargo, Vinicius Rosa Seus, et al.Pageof 407