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Journal of Computational Chemistry|June 12, 2018
Coarse-grained molecular dynamics simulations of polymerization with forward and backward reactionsJakub Krajniak, Zidan Zhang, Sudharsan Pandiyan, et al.Journal of Computational Chemistry|December 18, 2009
Radial-template approach for accurate density representation in computational quantum theoryLj Miljacic, D E EllisJournal of Computational Chemistry|May 15, 2018
Tyrosine absorption spectroscopy: Backbone protonation effects on the side chain electronic propertiesSara Del Galdo, Giordano Mancini, Isabella Daidone, et al.Journal of Computational Chemistry|May 15, 2018
Free energy landscapes of prototropic tautomerism in pyridoxal 5'-phosphate schiff bases at the active site of an enzyme in aqueous mediumKumari Soniya, Amalendu ChandraJournal of Computational Chemistry|May 15, 2018
A refined cavity construction algorithm for the conductor-like screening modelAndreas Klamt, Michael DiedenhofenJournal of Computational Chemistry|May 16, 2018
Predicting lysine-malonylation sites of proteins using sequence and predicted structural featuresGhazaleh Taherzadeh, Yuedong Yang, Haodong Xu, et al.Journal of Computational Chemistry|May 1, 2018
Calculating particle pair potentials from fluid-state pair correlations: Iterative ornstein-zernike inversionMarco HeinenJournal of Computational Chemistry|April 12, 2019
Development of a new parameter optimization scheme for a reactive force field based on a machine learning approachHiroya Nakata, Shandan BaiJournal of Computational Chemistry|April 13, 2019
Effect of monovalent ion binding on molecular dynamics of the S100-family calcium-binding protein calbindin D9kMahendra Thapa, Eric Johnson, Mark RanceJournal of Computational Chemistry|April 14, 2019
The destabilization of hydrogen bonds in an external E-field for improved switch performanceTianlv Xu, Roya Momen, Alireza Azizi, et al.Pageof 598