Theoretical insights into the mechanism of acetylcholinesterase-catalyzed acylation of acetylcholine. - T. K. Manojkumar; Chunzhi Cui; Kwang S. Kim (J. Comput. Chem., 2005)

Carbon nanotube, graphene, nanowire, and molecule-based electron and spin transport phenomena using the nonequilibrium Green's function method at the level of first principles theory. - Woo Youn Kim; Kwang S. Kim (J. Comput. Chem., 2008)

Complete basis set limit of Ab initio binding energies and geometrical parameters for various typical types of complexes. - Seung Kyu Min; Eun Cheol Lee; Han Myoung Lee; Dong Young Kim; Dongwook Kim; Kwang S. Kim (J. Comput. Chem., 2008)

Dynamics and structural changes of small water clusters on ionization. - Han Myoung Lee; Kwang S. Kim (J. Comput. Chem., 2013)

Molecular sensing using armchair graphene nanoribbon. - Mohammad Reza Rezapour; Arunkumar Chitteth Rajan; Kwang S. Kim (J. Comput. Chem., 2014)

Effects of an electric field on interaction of aromatic systems. - Il Seung Youn; Woo Jong Cho; Kwang S. Kim (J. Comput. Chem., 2016)

Mechanisms of sensorimotor adaptation in a hierarchical state feedback control model of speech. - Kwang S. Kim; Jessica L. Gaines; Benjamin Parrell; Vikram Ramanarayanan; Srikantan S. Nagarajan; John F. Houde (PLoS Comput. Biol., 2023)

Bayesian inference of state feedback control parameters for fo perturbation responses in cerebellar ataxia. - Jessica L. Gaines; Kwang S. Kim; Benjamin Parrell; Vikram Ramanarayanan; Alvincé L. Pongos; Srikantan S. Nagarajan; John F. Houde (PLoS Comput. Biol., 2024)