7 citations · 18 across the 6 of their papers we have counts for
6 papers
Mutations strengthened SARS-CoV-2 infectivity
Jiahui Chen, Rui Wang, Menglun Wang +1
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infectivity is a major concern in coronavirus disease 2019 (COVID-19) prevention and economic reopening. However, rigor…
MathDL: Mathematical deep learning for D3R Grand Challenge 4
Duc Duy Nguyen, Kaifu Gao, Menglun Wang +1
We present the performances of our mathematical deep learning (MathDL) models for D3R Grand Challenge 4 (GC4). This challenge involves pose prediction, affinity ranking, and free e…
The de Rham-Hodge analysis and modeling of biomolecules
Rundong Zhao, Menglun Wang, Yiying Tong +1
Recent years have witnessed a trend that advanced mathematical tools, such as algebraic topology, differential geometry, graph theory, and partial differential equations, have been…
Divide-and-Conquer Strategy for Large-Scale Eulerian Solvent Excluded Surface
Rundong Zhao, Menglun Wang, Yiying Tong +1
Motivation: Surface generation and visualization are some of the most important tasks in biomolecular modeling and computation. Eulerian solvent excluded surface (ESES) software pr…
Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges
Duc Duy Nguyen, Zixuan Cang, Kedi Wu +3
Advanced mathematics, such as multiscale weighted colored graph and element specific persistent homology, and machine learning including deep neural networks were integrated to con…
Rigidity strengthening is a vital mechanism for protein-ligand binding
Duc Duy Nguyen, Tian Xiao, Menglun Wang +1
Protein-ligand binding is essential to almost all life processes. The understanding of protein-ligand interactions is fundamentally important to rational drug design and protein de…