A molecular dynamics investigation of CDK8/CycC and ligand binding: conformational flexibility and implication in drug discovery. - Timothy Cholko; Wei Chen; Zhiye Tang; Chia-en A. Chang (J. Comput. Aided Mol. Des., 2018)

Simulating Chemical Processes From Brownian Diffusion to Binding Thermodynamics - Timothy Cholko (2021)

GeomBD3: Brownian Dynamics Simulation Software for Biological and Engineered Systems. - Timothy Cholko; Shivansh Kaushik; Kingsley Y. Wu; Ruben Montes; Chia-en A. Chang (J. Chem. Inf. Model., 2022)