Chemistry (Weinheim an der Bergstrasse, Germany)
Nov 14, 2024
In this work we introduce Target Fisher, a consensus structure-based target prediction tool that integrates molecular docking and machine learning with the aim to aid in the identification of potential biological targets and the optimization of the u...
Chemistry (Weinheim an der Bergstrasse, Germany)
Sep 28, 2023
In the context of drug discovery, computational methods were able to accelerate the challenging process of designing and optimizing a new drug candidate. Amongst the possible atomistic simulation approaches, metadynamics (metaD) has proven very power...
Chemistry (Weinheim an der Bergstrasse, Germany)
Jun 5, 2023
Liquid crystal elastomers (LCEs) are active soft matter-based materials with strong stimulus responsiveness and reversible, large-shape morphing capabilities. LCEs have demonstrated broad and growing applications in soft robotics, wearable devices, a...
Chemistry (Weinheim an der Bergstrasse, Germany)
Oct 13, 2022
The marriage of liquid crystal elastomers with dynamic covalent chemistry can be a new paradigm for the development of dynamic and intelligent polymers with versatile functionalities, which is of paramount significance for many emerging applications ...
Chemistry (Weinheim an der Bergstrasse, Germany)
Jun 25, 2020
Since the concept of deep learning (DL) was formally proposed in 2006, it has had a major impact on academic research and industry. Nowadays, DL provides an unprecedented way to analyze and process data with demonstrated great results in computer vis...