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Journal of Chemical Information and Modeling|December 15, 2018
Robustness and Efficiency of Poisson-Boltzmann Modeling on Graphics Processing UnitsRuxi Qi, Ray LuoJournal of Computational Chemistry|February 19, 2019
An efficient second-order poisson-boltzmann methodHaixin Wei, Ray Luo, Ruxi QiMethods in Molecular Biology (Clifton, N.J.)|May 11, 2018
Replica Exchange Molecular Dynamics: A Practical Application Protocol with Solutions to Common Problems and a Peptide Aggregation and Self-Assembly ExampleRuxi Qi, Guanghong Wei, Buyong Ma, et al.Physical Chemistry Chemical Physics : PCCP|November 3, 2016
Dynamics of the conformational transitions during the dimerization of an intrinsically disordered peptide: a case study on the human islet amyloid polypeptide fragmentQin Qiao, Ruxi Qi, Guanghong Wei, et al.Journal of Chemical Theory and Computation|May 30, 2017
Acceleration of Linear Finite-Difference Poisson-Boltzmann Methods on Graphics Processing UnitsRuxi Qi, Wesley M Botello-Smith, Ray LuoPhysical Chemistry Chemical Physics : PCCP|March 1, 2016
Self-aggregation and coaggregation of the p53 core fragment with its aggregation gatekeeper variantJiangtao Lei, Ruxi Qi, Guanghong Wei, et al.Journal of Chemical Theory and Computation|March 25, 2021
Estimating the Roles of Protonation and Electronic Polarization in Absolute Binding Affinity SimulationsEdward King, Ruxi Qi, Han Li, et al.Journal of Chemical Information and Modeling|May 31, 2019
Heterogeneous Dielectric Implicit Membrane Model for the Calculation of MMPBSA Binding Free EnergiesD'Artagnan Greene, Ruxi Qi, Remy Nguyen, et al.Frontiers in Molecular Biosciences|January 26, 2018
Recent Developments and Applications of the MMPBSA MethodChanghao Wang, D'Artagnan Greene, Li Xiao, et al.Physical Chemistry Chemical Physics : PCCP|July 5, 2019
Mechanistic insight into E22Q-mutation-induced antiparallel-to-parallel β-sheet transition of Aβ16-22 fibrils: an all-atom simulation studyXuhua Li, Jiangtao Lei, Ruxi Qi, et al.Pageof 4