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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|December 9, 2017
Structural comparison among the 2013-2017 avian influenza A H5N6 hemagglutinin proteins: A computational study with epidemiological implicationsMarni E Cueno, Izuho Suzuki, Shiori Shimotomai, et al.Journal of Molecular Graphics & Modelling|December 11, 2017
Molecular dynamics simulations suggest changes in electrostatic interactions as a potential mechanism through which serine phosphorylation inhibits DNA Polymerase β's activityDirar Homouz, Kwee Hong Joyce-Tan, Mohd Shahir Shamsir, et al.Journal of Molecular Graphics & Modelling|December 15, 2017
PLHINT: A knowledge-driven computational approach based on the intermolecular H bond interactions at the protein-ligand interface from docking solutionsSivakumar Prasanth KumarJournal of Molecular Graphics & Modelling|December 31, 2017
A computational study of PAMAM dendrimer interaction with trans isomer of picoplatin anticancer drugDavood Farmanzadeh, Mahsa GhaderiJournal of Molecular Graphics & Modelling|January 12, 2018
Studying the recognition mechanism of TcaR and ssDNA using molecular dynamic simulationsJing-Rong Fan, Hong-Xing Zhang, Yu-Guang Mu, et al.Journal of Molecular Graphics & Modelling|December 24, 2017
Exploration of DPP-IV inhibitors with a novel scaffold by multistep in silico screeningTaro Uchida, Masaki Wakasugi, Takahiro Kitamura, et al.Journal of Molecular Graphics & Modelling|December 20, 2017
A computational study on the cisplatin drug interaction with boron nitride nanoclusterSaeid Onsori, Elham AlipourJournal of Molecular Graphics & Modelling|March 4, 2018
The substitution effect of heterocyclic rings to tune the optical and nonlinear optical properties of hybrid chalcones: A comparative studyShabbir Muhammad, Abdullah G Al-Sehemi, Ahmad Irfan, et al.Journal of Molecular Graphics & Modelling|July 26, 2015
π-Stacking effects on the hydrogen bonding capacity of methyl 2-naphthoateFarideh Badichi Akher, Ali EbrahimiPageof 408