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Journal of Computational Chemistry|December 12, 2022
Insights into molecular cluster materials with adamantane-like core structures by considering dimer interactionsSebastian Schwan, Andreas J Achazi, Ferdinand Ziese, et al.Journal of Computational Chemistry|December 13, 2022
Schwarz P-surface via isolated sp2 carbon heptagons: Design and propertiesAlexey V Ignatchenko, Jacob P WillowerJournal of Computational Chemistry|June 28, 2022
Factor analysis of error in oxidation potential calculation: A machine learning studyYuki Kanamaru, Toru MatsuiJournal of Computational Chemistry|July 5, 2022
Quantum computing in pharma: A multilayer embedding approach for near future applicationsRóbert Izsák, Christoph Riplinger, Nick S Blunt, et al.Journal of Computational Chemistry|October 7, 2020
The effect of different cutoff schemes in molecular simulations of proteinsMatthias Diem, Chris OostenbrinkJournal of Computational Chemistry|October 27, 2020
On the many-body nature of intramolecular forces in FFLUX and its implicationsAnton Konovalov, Benjamin C B Symons, Paul L A PopelierJournal of Computational Chemistry|March 29, 2020
Statistical mechanical prediction of ligand perturbation to RNA secondary structure and application to riboswitchesOsama Alaidi, Fareed Aboul-ElaJournal of Computational Chemistry|September 15, 2020
Role of alkylated residues in the tetrapeptide self-assembly-A molecular dynamics studyRajarajeswari Muthusivarajan, William J Allen, Ashok D Pehere, et al.Journal of Computational Chemistry|June 15, 2021
A molecular dynamics study of a fully zwitterionic copolymer/ionic liquid-based electrolyte: Li+ transport mechanisms and ionic interactionsTuanan C Lourenço, Mahsa Ebadi, Matthew J Panzer, et al.Journal of Computational Chemistry|October 3, 2020
Atomistic hybrid particle-field molecular dynamics combined with slip-springs: Restoring entangled dynamics to simulations of polymer meltsZhenghao Wu, Andreas Kalogirou, Antonio De Nicola, et al.Pageof 593