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Journal of Computational Chemistry|April 30, 2008
On the modeling of arginine-bound carboxylates: a case study with Pyruvate Formate-LyaseKarmen Condić-Jurkić, V Tamara Perchyonok, Hendrik Zipse, et al.Journal of Computational Chemistry|May 13, 2008
Force field parameters for rotation around chi torsion axis in nucleic acidsHirotaka Ode, Yuri Matsuo, Saburo Neya, et al.Journal of Computational Chemistry|February 14, 2008
Reaction mechanisms of dissociative chemisorption of HI, I2, and CH3I on a magic cluster Al13-Jong Chan Kim, Kyoung Hoon Kim, Jaehoon Jung, et al.Journal of Computational Chemistry|February 23, 2008
Prediction of protein structural class using novel evolutionary collocation-based sequence representationKe Chen, Lukasz A Kurgan, Jishou RuanJournal of Computational Chemistry|November 30, 2016
Anomerization reaction of bare and microhydrated d-erythrose via explicitly correlated coupled cluster approach. Two water molecules are optimalMarek Szczepaniak, Jerzy MocJournal of Computational Chemistry|October 9, 2016
The impact of surface area, volume, curvature, and Lennard-Jones potential to solvation modelingDuc D Nguyen, Guo-Wei WeiJournal of Computational Chemistry|November 19, 2016
Relativistic (SR-ZORA) quantum theory of atoms in molecules propertiesJames S M Anderson, Juan I Rodríguez, Paul W Ayers, et al.Journal of Computational Chemistry|November 19, 2016
CHARMM-GUI 10 years for biomolecular modeling and simulationSunhwan Jo, Xi Cheng, Jumin Lee, et al.Journal of Computational Chemistry|May 30, 2008
On relativistic effects in ground state potential curves of Zn2, Cd2, and Hg2 dimers. A CCSD(T) studyLukás Bucinský, Stanislav Biskupic, Michal Ilcin, et al.Journal of Computational Chemistry|June 13, 2008
DFT calculations of quadrupolar solid-state NMR properties: Some examples in solid-state inorganic chemistryJerome Cuny, Sabri Messaoudi, Veronique Alonzo, et al.Pageof 598