2 papers
physics.chem-ph2025
Synergistic Computational Approaches for Accelerated Drug Discovery: Integrating Quantum Mechanics, Statistical Thermodynamics, and Quantum Computing
Farzad Molani, Art E. Cho
Accurately predicting protein-ligand binding free energies (BFEs) remains a central challenge in drug discovery, particularly because the most reliable methods, such as free energy…
cond-mat.mes-hall2017
Nitrogen doping of carbon nanoelectrodes for enhanced control of DNA translocation dynamics
Sang Won Jung, Han Seul Kim, Art E. Cho +1
Controlling the dynamics of DNA translocation is a central issue in the emerging nanopore-based DNA sequencing. To address the potential of heteroatom doping of carbon nanostructur…