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Journal of Molecular Modeling|March 4, 2011
Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodineKevin E Riley, Jane S Murray, Jindřich Fanfrlík, et al.Journal of Molecular Modeling|March 4, 2011
Designing molecular devices by altering bond lengthsVijay Lamba, Suman J Wilkinson, Charu AroraJournal of Molecular Modeling|March 4, 2011
Charge sensitivity analysis in force-field-atom resolutionAnna Stachowicz, Anna Styrcz, Jacek KorchowiecJournal of Molecular Modeling|March 4, 2011
Localization and anharmonicity of the vibrational modes for GC Watson-Crick and Hoogsteen base pairsAttila Bende, Diana Bogdan, Cristina M Muntean, et al.Journal of Molecular Modeling|December 14, 2011
Hydrogen adsorption capacities of multi-walled boron nitride nanotubes and nanotube arrays: a grand canonical Monte Carlo studyZohreh Ahadi, Muhammad Shadman, Saeed Yeganegi, et al.Journal of Molecular Modeling|November 15, 2011
A QSAR study of radical scavenging antioxidant activity of a series of flavonoids using DFT based quantum chemical descriptors--the importance of group frontier electron densityAnanda Sarkar, Tapas Ranjan Middya, Atish Dipnakar JanaJournal of Molecular Modeling|September 10, 2011
Molecular dynamics simulations on the aggregation behavior of indole type organic dye molecules in dye-sensitized solar cellsAnanda Rama Krishnan Selvaraj, Shuji HayaseJournal of Molecular Modeling|October 4, 2011
Molecular modeling study on the disassembly of dendrimers designed as potential antichagasic and antileishmanial prodrugsJeanine Giarolla, Kerly F M Pasqualoto, Daniela G Rando, et al.Journal of Molecular Modeling|November 22, 2011
Predicting functional residues of the Solanum lycopersicum aspartic protease inhibitor (SLAPI) by combining sequence and structural analysis with molecular dockingYasel Guerra, Pedro A Valiente, Colin Berry, et al.Journal of Molecular Modeling|May 21, 2011
Computational characterization of the molecular structure and properties of Dye 7 for organic photovoltaicsJesús Baldenebro-López, José Castorena-González, Norma Flores-Holguin, et al.Pageof 699