16 citations · 20 across the 3 of their papers we have counts for
3 papers
cs.LG2023
C3Net: interatomic potential neural network for prediction of physicochemical properties in heterogenous systems
Sehan Lee, Jaechang Lim, Woo Youn Kim
Understanding the interactions of a solute with its environment is of fundamental importance in chemistry and biology. In this work, we propose a deep neural network architecture f…
q-bio.BM2023★ 4 cited
PIGNet2: A Versatile Deep Learning-based Protein-Ligand Interaction Prediction Model for Binding Affinity Scoring and Virtual Screening
Seokhyun Moon, Sang-Yeon Hwang, Jaechang Lim +1
Prediction of protein-ligand interactions (PLI) plays a crucial role in drug discovery as it guides the identification and optimization of molecules that effectively bind to target…
physics.chem-ph2016★ 16 cited
Importance of local exact exchange potential in hybrid functionals for accurate excited states
Jaewook Kim, Kwangwoo Hong, Sang-Yeon Hwang +3
Density functional theory has been an essential analysis tool for both theoretical and experimental chemists since accurate hybrid functionals were developed. Here we propose a loc…