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Journal of Computational Chemistry|December 11, 2012
Membrane protein native state discrimination by implicit membrane modelsOlga Yuzlenko, Themis LazaridisJournal of Computational Chemistry|January 3, 2013
Acceleration of coarse grain molecular dynamics on GPU architecturesArdita Shkurti, Mario Orsi, Enrico Macii, et al.Journal of Computational Chemistry|January 3, 2013
Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. Part I. Application of the Huzinaga equationGyörgy G FerenczyJournal of Computational Chemistry|January 16, 2013
Effective fragment potential method in Q-CHEM: a guide for users and developersDebashree Ghosh, Dmytro Kosenkov, Vitalii Vanovschi, et al.Journal of Computational Chemistry|December 1, 2012
Coulomb replica-exchange method: handling electrostatic attractive and repulsive forces for biomoleculesSatoru G Itoh, Hisashi OkumuraJournal of Computational Chemistry|May 9, 2012
Spinor product computations for protein conformationsPieter Chys, Pablo ChacónJournal of Computational Chemistry|February 29, 2012
Importance of electrostatic polarizability in calculating cysteine acidity constants and copper(I) binding energy of Bacillus subtilis CopZTimothy H Click, Sergei Y Ponomarev, George A KaminskiJournal of Computational Chemistry|September 16, 2014
Carbohydrate-binding protein identification by coupling structural similarity searching with binding affinity predictionHuiying Zhao, Yuedong Yang, Mark von Itzstein, et al.Journal of Computational Chemistry|September 25, 2014
A DFT study on proton transfers in hydrolysis reactions of phosphate dianion and sulfate monoanionShinichi Yamabe, Guixiang Zeng, Wei Guan, et al.Journal of Computational Chemistry|September 25, 2014
Bayesian inference of conformational state populations from computational models and sparse experimental observablesVincent A Voelz, Guangfeng ZhouPageof 598