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Journal of Computational Chemistry|September 12, 2008
A novel method for protein-ligand binding affinity prediction and the related descriptors explorationShuyan Li, Lili Xi, Chengqi Wang, et al.Journal of Computational Chemistry|October 24, 2008
Conformational transition pathway in the allosteric process of calcium-induced recoverin: molecular dynamics simulationsJi-Lai Li, Cai-Yun Geng, Yuxiang Bu, et al.Journal of Computational Chemistry|October 24, 2008
CASSCF and multireference CI with singles and doubles study of low-lying valence and Rydberg states of 2H-tetrazoleMiguel A F de Souza, Elizete Ventura, Regiane C M U Araújo, et al.Journal of Computational Chemistry|September 13, 2007
Effects of long-range electrostatic forces on simulated protein folding kineticsAlex Robertson, Edgar Luttmann, Vijay S PandeJournal of Computational Chemistry|April 25, 2007
Implementation of divide-and-conquer method including Hartree-Fock exchange interactionTomoko Akama, Masato Kobayashi, Hiromi NakaiJournal of Computational Chemistry|April 25, 2007
Electron affinities of heavier phosphoryl and thiophosphoryl halides APX3 (A = O, S and X = Br, I)T Zeng, Z Jamshidi, H Mori, et al.Journal of Computational Chemistry|November 27, 2016
Conserving the linear momentum in stochastic dynamics: Dissipative particle dynamics as a general strategy to achieve local thermostatization in molecular dynamics simulationsPeter P Passler, Thomas S HoferJournal of Computational Chemistry|March 6, 2015
QuickFF: A program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio inputLouis Vanduyfhuys, Steven Vandenbrande, Toon Verstraelen, et al.Journal of Computational Chemistry|August 23, 2020
Effect of substitution on the bonding in He dimer confined within dodecahedrane: A computational studyGourhari Jana, Pratim K ChattarajJournal of Computational Chemistry|April 11, 2023
NIAS-Server 2.0: A versatile complementary tool for structural biology studiesBruno César Feltes, Éderson Sales Moreira Pinto, Arthur Tonietto Mangini, et al.Pageof 598