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Journal of Molecular Modeling|December 11, 2008
Computational studies of the binding mode and 3D-QSAR analyses of symmetric formimidoester disulfides: a new class of non-nucleoside HIV-1 reverse transcriptase inhibitorElena Cichero, Sara Cesarini, Andrea Spallarossa, et al.Journal of Molecular Modeling|December 5, 2008
Docking studies suggest ligand-specific delta-opioid receptor conformationsVuk Micovic, Milovan D Ivanovic, Ljiljana Dosen-MicovicJournal of Molecular Modeling|December 6, 2008
AM1* parameters for bromine and iodineHakan Kayi, Timothy ClarkJournal of Molecular Modeling|December 6, 2008
Design of laser pulses for selective vibrational excitation of the N6-H bond of adenine and adenine-thymine base pair using optimal control theorySitansh Sharma, Purshotam Sharma, Harjinder Singh, et al.Journal of Molecular Modeling|November 14, 2008
DFT study of a series of crown-4 ethers and their selectivity trend for alkali metal cations: Li+ and Na+Hui Hou, Xingye Zeng, Xiaoping LiuJournal of Molecular Modeling|July 14, 2009
Efficient conformational sampling of multiconformational cyclic molecules: application to 1,4,7,10,13-PentaoxacyclopentadecaneBulusu Jagannadh, Kondalu R Dharshna Priya, Laveti Chandini Devi, et al.Journal of Molecular Modeling|July 11, 2009
In silico QSAR studies of anilinoquinolines as EGFR inhibitorsFarhan Ahmad Pasha, Muhammad Muddassar, Anil Kumar Srivastava, et al.Journal of Molecular Modeling|July 4, 2009
Mg-Al layered double hydroxide intercalated with porphyrin anions: molecular simulations and experimentsPetr Kovár, Miroslav Pospísil, Eva Káfunková, et al.Journal of Molecular Modeling|February 10, 2009
Binding free energy calculations of N-sulphonyl-glutamic acid inhibitors of MurD ligaseAndrej Perdih, Urban Bren, Tom SolmajerJournal of Molecular Modeling|February 12, 2009
Theoretical kinetic study of the formation reactions of methanol and methyl hypohalites in the gas phaseKatarzyna Brudnik, Agnieszka A Gola, Jerzy T JodkowskiPageof 699