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Journal of Chemical Theory and Computation|February 25, 2026
Cracking the Capsid Code: A Computationally Feasible Approach for Investigating Virus-Excipient Interactions in Biologics DesignJonathan W P Zajac, Idris Tohidian, Praveen Muralikrishnan, et al.Journal of Computational Chemistry|May 1, 2021
MoSDeF Cassandra: A complete Python interface for the Cassandra Monte Carlo softwareRyan S DeFever, Ray A Matsumoto, Alexander W Dowling, et al.Chemical Science|March 20, 2025
Flipping out: role of arginine in hydrophobic interactions and biological formulation designJonathan W P Zajac, Praveen Muralikrishnan, Idris Tohidian, et al.Journal of Chemical Information and Modeling|August 17, 2021
Machine Learning Directed Optimization of Classical Molecular Modeling Force FieldsBridgette J Befort, Ryan S DeFever, Garrett M Tow, et al.Iscience|February 9, 2023
Differences in solvation thermodynamics of oxygenates at Pt/Al<sub>2</sub>O<sub>3</sub> perimeter versus Pt(111) terrace sitesRicardo A Garcia Carcamo, Xiaohong Zhang, Ali Estejab, et al.ACS Central Science|September 2, 2021
The Middle Science: Traversing Scale In Complex Many-Body SystemsAurora E Clark, Henry Adams, Rigoberto Hernandez, et al.The Journal of Chemical Physics|December 9, 2020
Comparison of fixed charge and polarizable models for predicting the structural, thermodynamic, and transport properties of molten alkali chloridesHaimeng Wang, Ryan S DeFever, Yong Zhang, et al.RSC Advances|February 16, 2016
Influence of carbon nanomaterial defects on the formation of protein coronaBishwambhar Sengupta, Wren E Gregory, Jingyi Zhu, et al.JACS Au|May 2, 2025
Machine Learning Reveals Amine Type in Polymer Micelles Determines mRNA Binding, <i>In Vitro, and In Vivo</i> Performance for Lung-Selective DeliverySidharth Panda, Ella J Eaton, Praveen Muralikrishnan, et al.Journal of Medicinal Chemistry|January 20, 2025
N-Branched Tricyclic Guanidines as Novel Melanocortin-3 Receptor Agonists and Melanocortin-4 Receptor AntagonistsNicholas A Weirath, Jonathan W P Zajac, Haley M Donow, et al.Pageof 4