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Journal of Computational Chemistry|February 8, 2006
Computation of hydration free energies of organic solutes with an implicit water modelMikhail V Basilevsky, Igor V Leontyev, Sofia V Luschekina, et al.Journal of Computational Chemistry|February 14, 2006
A consensus procedure improving solvent accessibility predictionGiulio Gianese, Stefano PascarellaJournal of Computational Chemistry|January 19, 2006
New force field for calcium binding sites in annexin-membrane complexesFranci Merzel, Milan Hodoscek, Dusanka Janezic, et al.Journal of Computational Chemistry|February 1, 2006
A computational study of the lowest singlet and triplet states of neutral and dianionic 1,2-substituted icosahedral and octahedral o-carboranesJosep M Oliva, Luis Serrano-AndrésJournal of Computational Chemistry|September 5, 2025
A New Fragment-Based Pharmacophore Virtual Screening Workflow Identifies Potent Inhibitors of SARS-CoV-2 NSP13 HelicaseJordi Doijen, Jiexiong Xie, Simone Marsili, et al.Journal of Computational Chemistry|March 27, 2010
Molecular docking studies of selected tricyclic and quinone derivatives on trypanothione reductase of Leishmania infantumSanthosh Kannan Venkatesan, Anil Kumar Shukla, Vikash Kumar DubeyJournal of Computational Chemistry|March 27, 2010
Modeling of diarylalkyl-imidazole and diarylalkyl-triazole derivatives as potent aromatase inhibitors for treatment of hormone-dependent cancerShuchi Nagar, Achintya SahaJournal of Computational Chemistry|August 30, 2008
Prediction of protein folding rates from primary sequences using hybrid sequence representationYingfu Jiang, Paul Iglinski, Lukasz KurganJournal of Computational Chemistry|August 30, 2008
Application of the dressed time-dependent density functional theory for the excited states of linear polyenesGrzegorz Mazur, Radosław WłodarczykJournal of Computational Chemistry|August 30, 2008
Implementation and use of a direct, partially integral-driven non-Dyson propagator method for molecular ionizationLoriano Storchi, Giuseppe Vitillaro, Francesco TarantelliPageof 598