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Journal of Chemical Theory and Computation|May 17, 2019
Quantitative Analysis of QM/MM Boundary Artifacts and Correction in Adaptive QM/MM SimulationsHiroshi C Watanabe, Qiang CuiThe Journal of Physical Chemistry. B|April 21, 2021
Modulation of Nanoparticle Diffusion by Surface Ligand Length and Charge: Analysis with Molecular Dynamics SimulationsAnthony Y Cui, Qiang CuiThe Journal of Physical Chemistry Letters|July 12, 2022
Machine Learning-Assisted Phase Transition Temperatures from Generalized Replica Exchange Simulations of Dry Martini Lipid BilayersZeke A Piskulich, Qiang CuiFrontiers in Chemistry|May 17, 2021
Iterative Exponential Growth of Oxygen-Linked Aromatic Polymers Driven by Nucleophilic Aromatic Substitution ReactionsTyler J Jaynes, Mona Sharafi, Joseph P Campbell, et al.Journal of the American Chemical Society|March 8, 2024
Flexibility of Binding Site is Essential to the Ca2+ Selectivity in EF-Hand Calcium-Binding ProteinsRui Lai, Guohui Li, Qiang CuiJournal of Chemical Theory and Computation|December 4, 2012
DFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB)Michael Gaus, Qiang Cui, Marcus ElstnerThe Journal of Physical Chemistry. B|July 21, 2006
pKa calculations in solution and proteins with QM/MM free energy perturbation simulations: a quantitative test of QM/MM protocolsDemian Riccardi, Patricia Schaefer, Qiang CuiThe Journal of Physical Chemistry. B|October 28, 2008
Importance of van der Waals Interactions in QM/MM SimulationsDemian Riccardi, Guohui Li, Qiang CuiStructure (London, England : 1993)|November 14, 2006
Interpreting correlated motions using normal mode analysisAdam W Van Wynsberghe, Qiang CuiJournal of Chemical Theory and Computation|November 21, 2015
Free Energy Calculations for the Peripheral Binding of Proteins/Peptides to an Anionic Membrane. 1. Implicit Membrane ModelsLeili Zhang, Arun Yethiraj, Qiang CuiPageof 55