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Journal of Molecular Modeling|December 19, 2015
Evidence supporting a critical contribution of intrinsically disordered regions to the biochemical behavior of full-length human HP1γGabriel Velez, Marisa Lin, Trace Christensen, et al.Journal of Molecular Modeling|December 19, 2015
Structural signatures of DRD4 mutants revealed using molecular dynamics simulations: Implications for drug targetingNidhi Jatana, Lipi Thukral, N LathaJournal of Molecular Modeling|October 7, 2015
Theoretical and experimental studies on three new coordination complexes of Co(II), Ni(II), and Cu(II) with 2,4-dichloro-6-{(E)-[(5-chloro-2 sulfanylphenyl)imino]methyl}phenol Schiff base ligandBrajendra S Kusmariya, A P MishraJournal of Molecular Modeling|September 20, 2014
Interplay between halogen and chalcogen bonding in the XCl∙∙∙OCS∙∙∙NH₃ (X = F, OH, NC, CN, and FCC) complexQiang ZhaoJournal of Molecular Modeling|September 16, 2015
Synergistic and diminutive effects between halogen bond and lithium bond in complexes involving aromatic compoundsMingxiu Liu, Mengyang Cai, Qingzhong Li, et al.Journal of Molecular Modeling|September 18, 2015
DFT studies on the palladium-catalyzed dearomatization reaction between naphthalene allyl chloride and allyltributylstannaneWei Cao, Dongxu Tian, Dongxue HanJournal of Molecular Modeling|October 21, 2015
A piecewise lookup table for calculating nonbonded pairwise atomic interactionsJinping Luo, Lijun Liu, Peng Su, et al.Journal of Molecular Modeling|March 20, 2016
Solvent effect on molecular structure, IR spectra, thermodynamic properties and chemical stability of zoledronic acid: DFT studyQingzhu Liu, Ling Qiu, Yang Wang, et al.Journal of Molecular Modeling|February 28, 2016
Comparative theoretical study of the structures and stabilities of four typical gadolinium carboxylates in different scintillator solventsPin-Wen HuangJournal of Molecular Modeling|April 25, 2016
Improvements in GROMACS plugin for PyMOL including implicit solvent simulations and displaying results of PCA analysisTomasz Makarewicz, Rajmund KaźmierkiewiczPageof 694