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Journal of Molecular Modeling|November 1, 2016
Structural and functional aspects of decorsin and its analog as recognized by integrin αIIbβ3Xingzhen Lao, Jingxiao Bao, Tingting Yu, et al.Journal of Molecular Modeling|November 4, 2016
Fast and accurate hybrid QM//MM approach for computing anharmonic corrections to vibrational frequenciesLoïc Barnes, Baptiste Schindler, Isabelle Compagnon, et al.Journal of Molecular Modeling|December 10, 2016
Comparative simulation study of chemical synthesis of functional DADNE materialMin Hsien Liu, Chuan Wen LiuJournal of Molecular Modeling|October 27, 2016
Molecular insights into the binding of phosphoinositides to the TH domain region of TIPE proteinsPriya Antony, Bincy Baby, Ranjit VijayanJournal of Molecular Modeling|December 4, 2016
Coordination complexes of 4-methylimidazole with ZnII and CuII in gas phase and in water: a DFT studyMalek Boukallaba, Boutheïna Kerkeni, Christine Lepetit, et al.Journal of Molecular Modeling|December 5, 2016
Analysis of the antioxidant activity of 4-(5-chloro-2-hydroxyphenylamino)-4-oxobut-2-enoic acid derivatives using quantum-chemistry descriptors and molecular dockingAhmed Taki Eddine Ardjani, Sidi Mohamed MekellecheJournal of Molecular Modeling|February 27, 2019
Physical properties of model biological lipid bilayers: insights from all-atom molecular dynamics simulationsGanesh Shahane, Wei Ding, Michail Palaiokostas, et al.Journal of Molecular Modeling|March 1, 2019
Relationship between photo-physical and electrochemical properties of D-π-A compounds regarding solar cell applications. 1. Substituent type effect in photovoltaic performanceE Ortega, Jean Christian Bernède, A M R Ramírez, et al.Journal of Molecular Modeling|March 11, 2019
DFT study of CO adsorption on nitrogen/boron doped-graphene for sensor applicationsLeslie-Fernanda Velázquez-López, Sandy-María Pacheco-Ortin, Roberto Mejía-Olvera, et al.Journal of Molecular Modeling|March 4, 2019
Motion in a crowded environment: the influence of obstacles' size and shape and model of transportPiotr Polanowski, Andrzej SikorskiPageof 695