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Journal of Chemical Theory and Computation|September 25, 2012
Predicting ion-nucleic acid interactions by energy landscape-guided samplingZhaojian He, Shi-Jie ChenJournal of Chemical Theory and Computation|November 1, 2012
The Amber ff99 Force Field Predicts Relative Free Energy Changes for RNA Helix FormationAleksandar Spasic, John Serafini, David H MathewsJournal of Chemical Theory and Computation|February 18, 2015
Deciphering solution scattering data with experimentally guided molecular dynamics simulationsAlexander Björling, Stephan Niebling, Moreno Marcellini, et al.Journal of Chemical Theory and Computation|February 19, 2015
Multipolar Ewald methods, 1: theory, accuracy, and performanceTimothy J Giese, Maria T Panteva, Haoyuan Chen, et al.Journal of Chemical Theory and Computation|May 24, 2023
Discovering Reaction Pathways, Slow Variables, and Committor Probabilities with Machine LearningHaochuan Chen, Benoît Roux, Christophe ChipotJournal of Chemical Theory and Computation|July 17, 2020
Variational Multistate Density Functional Theory for a Balanced Treatment of Static and Dynamic CorrelationsZexing Qu, Yingjin MaJournal of Chemical Theory and Computation|July 16, 2020
d-Retro Inverso Amylin and the Stability of Amylin FibrilsPreeti Pandey, Natalie Nguyen, Ulrich H E HansmannJournal of Chemical Theory and Computation|July 16, 2020
Measuring Density-Driven Errors Using Kohn-Sham InversionSeungsoo Nam, Suhwan Song, Eunji Sim, et al.Journal of Chemical Theory and Computation|July 10, 2020
State-Targeted Energy Projection: A Simple and Robust Approach to Orbital Relaxation of Non-Aufbau Self-Consistent Field SolutionsKevin Carter-Fenk, John M HerbertJournal of Chemical Theory and Computation|July 26, 2020
Genetic Algorithm Driven Force Field Parameterization for Molten Alkali-Metal Carbonate and Hydroxide SaltsAnirban Mondal, Jeffrey M Young, Timothy A Barckholtz, et al.Pageof 1,140