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Journal of Molecular Modeling|February 22, 2017
Understanding weakly coordinating anions: tetrakis(pentafluorophenyl)borate paired with inorganic and organic cationsNadezhda A Andreeva, Vitaly V ChabanJournal of Molecular Modeling|February 26, 2017
Insights from molecular modeling into the selective inhibition of cathepsin S by its inhibitorSabahuddin Ahmad, Mohammad Imran SiddiqiJournal of Molecular Modeling|February 4, 2017
Theoretical investigation of oligomer structure and optoelectronic properties for [4-(methoxyphenyl)acetonitrile]n (n=1-5)W Taouali, M E Casida, M Chemek, et al.Journal of Molecular Modeling|February 4, 2017
A computational study on the role of noncovalent interactions in the stability of polymer/graphene nanocompositesS Güryel, M Alonso, B Hajgató, et al.Journal of Molecular Modeling|February 4, 2017
Evolution of methane density during melting in nanoporesE Dundar, C Wexler, L Firlej, et al.Journal of Molecular Modeling|February 4, 2017
How the extra methylene group affects the ligation properties of Glu vs. Asp and Gln vs. Asn amino acids: a DFT/PCM studyTodor Dudev, Lyudmila DoudevaJournal of Molecular Modeling|February 6, 2017
Methodological CASPT2 study of the valence excited states of an iron-porphyrin complexNadia Ben Amor, Adrien Soupart, Marie-Catherine HeitzJournal of Molecular Modeling|March 2, 2017
Study of structural and transport properties of argon, krypton, and their binary mixtures at different temperaturesSunil Ghimire, Narayan Prasad AdhikariJournal of Molecular Modeling|March 13, 2017
Development of physics based analytical interatomic potential for palladium-hydrideYoung Ho Park, Iyad HijaziJournal of Molecular Modeling|March 13, 2017
Docking-based virtual screening of Brazilian natural compounds using the OOMT as the pharmacological target databaseAna Paula Carregal, Flávia V Maciel, Juliano B Carregal, et al.Pageof 697