output
20202024
most citedEfficient Formulation of Polarizable Gaussian Multipole Electrostatics for Biomolecular Simulations

28 citations

6 papers

cs.CE2024★ 2 cited

Rethinking Cancer Gene Identification through Graph Anomaly Analysis

Yilong Zang, Lingfei Ren, Yue Li +7

Graph neural networks (GNNs) have shown promise in integrating protein-protein interaction (PPI) networks for identifying cancer genes in recent studies. However, due to the insuff…

math.NA2021★ 3 cited

A reduced order Schwarz method for nonlinear multiscale elliptic equations based on two-layer neural networks

Shi Chen, Zhiyan Ding, Qin Li +1

Neural networks are powerful tools for approximating high dimensional data that have been used in many contexts, including solution of partial differential equations (PDEs). We des…

cond-mat.mtrl-sci2021

Ultra-Sharp Nanowire Arrays Natively Permeate, Record, and Stimulate Intracellular Activity in Neuronal and Cardiac Networks

Ren Liu, Jihwan Lee, Youngbin Tchoe +16

Intracellular access with high spatiotemporal resolution can enhance our understanding of how neurons or cardiomyocytes regulate and orchestrate network activity, and how this acti…

q-bio.NC2021★ 8 cited

Fitting Splines to Axonal Arbors Quantifies Relationship between Branch Order and Geometry

Thomas L. Athey, Jacopo Teneggi, Joshua T. Vogelstein +3

Neuromorphology is crucial to identifying neuronal subtypes and understanding learning. It is also implicated in neurological disease. However, standard morphological analysis focu…

q-bio.BM2020★ 12 cited

Determining the atomic charge of calcium ion requires the information of its coordination geometry in an EF-hand motif

Pengzhi Zhang, Jaebeom Han, Piotr Cieplak +1

It is challenging to parameterize the force field for calcium ions (Ca2+) in calcium-binding proteins because of their unique coordination chemistry that involves the surrounding a…

physics.comp-ph2020★ 28 cited

Efficient Formulation of Polarizable Gaussian Multipole Electrostatics for Biomolecular Simulations

Haixin Wei, Ruxi Qi, Junmei Wang +3

Molecular dynamics simulations of biomolecules have been widely adopted in biomedical studies. As classical point-charge models continue to be used in routine biomolecular applicat…