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Journal of Molecular Graphics & Modelling|February 1, 2016
Design and synthesis of a novel class of carbonic anhydrase-IX inhibitor 1-(3-(phenyl/4-fluorophenyl)-7-imino-3H-[1,2,3]triazolo[4,5d]pyrimidin 6(7H)yl)ureaShikha Kumari, Danish Idrees, Chandra Bhushan Mishra, et al.Journal of Molecular Graphics & Modelling|February 8, 2016
Molecular dynamics simulations of Oxprenolol and Propranolol in a DPPC lipid bilayerKhaled Azizi, Mokhtar Ganjali KoliJournal of Molecular Graphics & Modelling|March 2, 2016
DFT simulations and microkinetic modelling of 1-pentyne hydrogenation on Cu20 model catalystsLi Ma, Marko Melander, Timo Weckman, et al.Journal of Molecular Graphics & Modelling|March 4, 2016
New design of nucleotide excision repair (NER) inhibitors for combination cancer therapyFrancesco Gentile, Jack A Tuszynski, Khaled H BarakatJournal of Molecular Graphics & Modelling|September 5, 2015
Cooperativity in bimetallic glutathione complexesSadhana Kumbhar, Saibal Jana, Anakuthil Anoop, et al.Journal of Molecular Graphics & Modelling|October 7, 2015
Brownian dynamics simulation of amphiphilic block copolymers with different tail lengths, comparison with theory and comicellesMohammad-Javad Hafezi, Farhad SharifJournal of Molecular Graphics & Modelling|August 28, 2015
Folding and binding energy of a calmodulin-binding cell antiproliferative peptideAhmad M Almudallal, Ivan Saika-Voivod, John M StewartJournal of Molecular Graphics & Modelling|August 24, 2015
Constructing an atomic-resolution model of human P2X7 receptor followed by pharmacophore modeling to identify potential inhibitorsMehdi Ahmadi, Amin Nowroozi, Mohsen ShahlaeiJournal of Molecular Graphics & Modelling|August 24, 2015
Computational discovery of novel HIV-1 entry inhibitors based on potent and broad neutralizing antibody VRC01Alexander M Andrianov, Ivan A Kashyn, Alexander V TuzikovJournal of Molecular Graphics & Modelling|January 17, 2015
Molecular dynamics simulation and free energy calculation studies of kinase inhibitors binding to active and inactive conformations of VEGFR-2XiaoYun Wu, ShanHe Wan, GuangFa Wang, et al.Pageof 402