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Journal of Computational Chemistry|February 23, 2008
Spontaneous segregation on a hybrid chiral surfacePaweł SzabelskiJournal of Computational Chemistry|January 16, 2008
Structure and bonding in binuclear metal carbonyls from the analysis of domain averaged Fermi holes. I. Fe2(CO)9 and Co2(CO)8Robert Ponec, György Lendvay, Joaquin ChavesJournal of Computational Chemistry|May 31, 2008
Modification of the CHARMM force field for DMPC lipid bilayerCarl-Johan Högberg, Alexei M Nikitin, Alexander P LyubartsevJournal of Computational Chemistry|October 13, 2009
How the choice of a computational model could rule the chemical interpretation: the Ni(II) catalyzed ethylene dimerization as a case studyVincent Tognetti, Pascal Le Floch, Carlo AdamoJournal of Computational Chemistry|October 15, 2009
A new force field for simulating phosphatidylcholine bilayersDavid Poger, Wilfred F Van Gunsteren, Alan E MarkJournal of Computational Chemistry|June 5, 2008
An ant colony pairwise alignment based on the dot plotsWeiyang Chen, Bo Liao, Wen Zhu, et al.Journal of Computational Chemistry|June 5, 2008
Application of MDGRAPE-3, a special purpose board for molecular dynamics simulations, to periodic biomolecular systemsGota Kikugawa, Rossen Apostolov, Narutoshi Kamiya, et al.Journal of Computational Chemistry|January 18, 2021
Estimations of FH···X hydrogen bond energies from IR intensities: Iogansen's rule revisitedElena Yu Tupikina, Peter M Tolstoy, Anna A Titova, et al.Journal of Computational Chemistry|October 1, 2019
Systematic Interaction Analysis of Anti-Human Immunodeficiency Virus Type-1 Neutralizing Antibodies with High Mannose Glycans Using Fragment Molecular Orbital and Molecular Dynamics MethodsMiyu Kusumoto, Kaori Ueno-Noto, Keiko TakanoJournal of Computational Chemistry|October 1, 2019
Determining Optimal Coarse-Grained Representation for Biomolecules Using Internal Cluster Validation IndexesZhenliang Wu, Yuwei Zhang, John Zenghui Zhang, et al.Pageof 598