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Chemical Communications (Cambridge, England)|July 16, 2020
Machine learning approach for accurate backmapping of coarse-grained models to all-atom modelsYaxin An, Sanket A DeshmukhThe Journal of Physical Chemistry. B|June 22, 2018
Development of New Transferable Coarse-Grained Models of HydrocarbonsYaxin An, Karteek K Bejagam, Sanket A DeshmukhThe Journal of Physical Chemistry. B|January 5, 2019
Development of Transferable Nonbonded Interactions between Coarse-Grained Hydrocarbon and Water ModelsYaxin An, Karteek K Bejagam, Sanket A DeshmukhThe Journal of Physical Chemistry Letters|July 20, 2018
Machine-Learned Coarse-Grained ModelsKarteek K Bejagam, Samrendra Singh, Yaxin An, et al.The Journal of Physical Chemistry Letters|October 30, 2018
Machine-Learning Enabled New Insights into the Coil-to-Globule Transition of Thermosensitive Polymers Using a Coarse-Grained ModelKarteek K Bejagam, Yaxin An, Samrendra Singh, et al.The Journal of Physical Chemistry. A|June 1, 2019
Machine-Learning Based Stacked Ensemble Model for Accurate Analysis of Molecular Dynamics SimulationsSamrendra K Singh, Karteek K Bejagam, Yaxin An, et al.The Journal of Physical Chemistry. B|January 23, 2018
PSO-Assisted Development of New Transferable Coarse-Grained Water ModelsKarteek K Bejagam, Samrendra Singh, Yaxin An, et al.Materials Chemistry Frontiers|November 9, 2020
A combined experimental and computational approach reveals how aromatic peptide amphiphiles self-assemble to form ion-conducting nanohelicesYin Wang, Yaxin An, Yulia Shmidov, et al.Soft Matter|January 18, 2020
Solvation dynamics of N-substituted acrylamide polymers and the importance for phase transition behaviorIsabel Ortiz de Solorzano, Karteek K Bejagam, Yaxin An, et al.Journal of Computational Chemistry|December 22, 2017
Development of non-bonded interaction parameters between graphene and water using particle swarm optimizationKarteek K Bejagam, Samrendra Singh, Sanket A DeshmukhPageof 7