AIMC Topic: Static Electricity
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Fast and accurate prediction of partial charges using Atom-Path-Descriptor-based machine learning.
Bioinformatics (Oxford, England)
Sep 15, 2020
MOTIVATION: Partial atomic charges are usually used to calculate the electrostatic component of energy in many molecular modeling applications, such as molecular docking, molecular dynamics simulations, free energy calculations and so forth. High-lev...
Ionic spiderwebs.
Science robotics
Jul 15, 2020
Spiders use adhesive, stretchable, and translucent webs to capture their prey. However, sustaining the capturing capability of these webs can be challenging because the webs inevitably invite contamination, thus reducing its adhesion force. To overco...
Generalized Born radii computation using linear models and neural networks.
Bioinformatics (Oxford, England)
Mar 1, 2020
MOTIVATION: Implicit solvent models play an important role in describing the thermodynamics and the dynamics of biomolecular systems. Key to an efficient use of these models is the computation of generalized Born (GB) radii, which is accomplished by ...
A Novel Underactuated Robotic Finger with Variable Stiffness Joints.
Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference
Jul 1, 2019
Existing robotic hands mostly consist of rigid finger mechanism with constant joint stiffness, leading to poor handling performance and even unexpected safety issues. This paper proposed a novel underactuated robotic finger with variable stiffness jo...
Approaching Pharmacological Space: Events and Components.
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2018
With a view to introducing the concept of pharmacological space and its potential applications in investigating and predicting the toxic mechanisms of xenobiotics, this opening chapter describes the logical relations between conformational behavior, ...
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