48 citations · 94 across the 7 of their papers we have counts for
7 papers
A Force-Kernel Reformulation of the Extended-System Adaptive Biasing Force for Free-Energy Calculations
Christopher Kang, Rahul Verma, Aditya Sonpal +3
We introduce force-kernel extended-system adaptive biasing force (FK-eABF), a force-based kernel reformulation of eABF that replaces the histogram-based mean-force accumulator of c…
Two-dimensional silk
Chenyang Shi, Marlo Zorman, Xiao Zhao +5
The ability to form silk films on semiconductors, metals, and oxides or as free-standing membranes has motivated research into silk-based electronic, optical, and biomedical device…
Quantifying the dynamics of protein self-organization using deep learning analysis of atomic force microscopy data
Maxim Ziatdinov, Shuai Zhang, Orion Dollar +7
Dynamics of protein self-assembly on the inorganic surface and the resultant geometric patterns are visualized using high-speed atomic force microscopy. The time dynamics of the cl…
Relaxing the aquaporin crystal structure in a membrane with surface vibrational spectroscopy
L. Schmüser, M. Trefz, S. J. Roeters +7
High-resolution structural information on membrane proteins is essential for understanding cell biology and for structure-based design of new medical drugs and drug delivery strate…
IL-Net: Using Expert Knowledge to Guide the Design of Furcated Neural Networks
Khushmeen Sakloth, Wesley Beckner, Jim Pfaendtner +1
Deep neural networks (DNN) excel at extracting patterns. Through representation learning and automated feature engineering on large datasets, such models have been highly successfu…
Multimodal Deep Neural Networks using Both Engineered and Learned Representations for Biodegradability Prediction
Garrett B. Goh, Khushmeen Sakloth, Charles Siegel +2
Deep learning algorithms excel at extracting patterns from raw data, and with large datasets, they have been very successful in computer vision and natural language applications. H…