20 papers · ranked by Valyu relevance
Joshué Pérez, Fawzi Nashashibi, Benjamin Lefaudeux, Paulo Resende + 1 more
'Evangeline Pollard'] Electric vehicles are progressively introduced in urban areas, because of their ability to reduce air pollution, fuel consumption and noise nuisance. Nowadays, some big cities are launching the first electric car-sharing projects to clear traffic jams and enhance urban mobility, as an alternative…
Casey W Bullock, Reed B Jacob, Owen M McDougal, Greg Hampikian + 1 more
'Tim Andersen'] Background The application of computational modeling to rationally design drugs and characterize macro biomolecular receptors has proven increasingly useful due to the accessibility of computing clusters and clouds. AutoDock is a well-known and powerful software program used to model ligand to receptor…
Yuanping He, Bowen Wang, Feifei Zhao, Xingfu Hong + 5 more
'Weihao Xu' 'Ming Liao' 'Fujing Tian' 'Vlasis Mavrantzas'] To address the wear life prediction challenge of Guide Cones in passive compliant connectors under dynamic loads within specialized equipment, this study proposes a dynamic wear modeling and life assessment method based on the improved Archard model. Through…
Guzel Minibaeva, Aleksandra Ivanova, Pavel Polishchuk
Docking of large compound collections becomes an important procedure to discover new chemical entities. Screening of large sets of compounds may also occur in de novo design projects guided by molecular docking. To facilitate these processes, there is a need for automated tools capable of efficiently docking a large…
Haohan Min, Zhoujian Li, Yu Yang, Jinyu Chen + 1 more
— Automatic docking has long been a significant challenge in the field of mobile robotics. Compared to other automatic docking methods, visual docking methods offer higher precision and lower deployment costs, making them an efficient and promising choice for this task. However, visual docking methods impose strict…
Ian Knight, Khanh Tang, John Irwin
Molecular docking is a widely used technique for leveraging protein structure in ligand discovery, but as a method, it remains difficult to utilize due to limitations that have not been adequately addressed. Despite some progress towards automation, docking still requires expert guidance, hindering its adoption by a…
Dimas M. Rachman, Yusuke Aoki, Yoshiki Miyauchi, Naoya Umeda + 1 more
'Atsuo Maki'] Abstract A VecTwin rudder system comprises twin fishtail rudders with reaction fins to increase its performance. With a constant propeller revolution number, the vessel can execute special low-speed maneuvers like hover, crabbing, reverse, and rotation. Such low-speed maneuvers are termed dynamic…
Earl Dietrich, Emir Cem Gezer, Bingzhuo Zhong, Murat Arcak + 3 more
'Majid Zamani' 'Roger Skjetne' 'Asgeir J. Sørensen'] Abstract—Docking marine surface vessels remains a largely manual task due to its safety-critical nature. In this paper, we develop a hierarchical symbolic control architecture for autonomous docking maneuvers of a dynamic positioning vessel, to provide formal safety…
Glenn Bitar, Andreas B. Martinsen, Anastasios M. Lekkas, Morten Breivik
'Morten Breivik'] We propose a method for performing automatic docking of a small autonomous surface vehicle (ASV) by interconnecting an optimization-based trajectory planner with a dynamic positioning (DP) controller for trajectory tracking. The trajectory planner provides collision-free trajectories by considering a…
Authors not listed
Molecular docking has become an essential tool in the early stages of structure-based drug discovery, enabling rapid virtual screening of large compound libraries against biological targets. However, the accuracy of binder selection is often limited by the available scoring functions. Here, we present a novel workflow…
Ian Knight, Khanh Tang, Olivier Mailhot, John Irwin
Molecular docking is a widely used technique for leveraging protein structure in ligand discovery, but as a method, it remains difficult to utilize due to limitations that have not been adequately addressed. Despite some progress towards automation, docking still requires expert guidance, hindering its adoption by a…
Lingyang Kong, Donghyuk Suh, Wonpil Im
Covalent inhibitor research is an emerging topic in drug discovery due to its superior performance in specificity and inhibition effects. While molecular docking is a popular strategy in prediction and assessment of ligand conformations or poses in receptor proteins, covalent ligand docking requires nontrivial…
Jonathan Wallen, Maddyson Jeske, Zhuoyuan Song
—The design of autonomous underwater vehicles (AUVs) and their docking stations has been a popular research topic for several decades. Although many AUV and dock designs have been proposed, materialized, and commercialized, most of these existing designs prioritize the functionality of the AUV over the dock, or vise…
Authors not listed
Recent advances in structural biology have led to the publica- tion of a wealth of high resolution x-ray crystallography and cryo-EM macromolecule structures, including many complexes with small molecules of interest for drug design. While it is com- mon to incorporate information from the atomic coordinates of these…
Chang Dae Lee, Brandon J. Daveler, Jorge L. Candiotti, Rosemarie Cooper + 4 more
'Rosemarie Cooper' 'Sivashankar Sivakanthan' 'Nikitha Deepak' 'Garrett G. Grindle' 'Rory A. Cooper'] The QLX is a low-profile automatic powered wheelchair docking system (WDS) prototype developed to improve the securement and discomfort of wheelchair users when riding in vehicles. The study evaluates the whole-body…
Cinthia Aguiar, Ihosvany Camps
Objective: The primary objective of this study is to conduct a comprehensive review of the significance of molecular docking in the field of drug discovery. This includes an examination of the various approaches and methods used in molecular docking, as well as an exploration of the techniques used for interpreting and…
Justin Spiriti, Sundar Raman Subramanian, Rohith Palli, Maria Wu + 1 more
There is a vast gulf between the two primary strategies for simulating protein-ligand interactions. Docking methods significantly limit or eliminate protein flexibility to gain great speed at the price of uncontrolled inaccuracy, whereas fully flexible atomistic molecular dynamics simulations are expensive and often…
Thom Vreven, Devin K. Schweppe, Juan D. Chavez, Chad R. Weisbrod + 4 more
Ab initio protein-protein docking algorithms often rely on experimental data to identify the most likely complex structure. We integrated protein-protein docking with the experimental data of chemical cross-linking followed by mass spectrometry. We tested our approach using 12 cases that resulted from an exhaustive…
Ørnulf Jan Rødseth, Lars Andreas Lien Wennersberg, Håvard Nordahl
Current guidelines for approval of autonomous ship systems are focused on the ships’ concrete operations and their geographic area. This is a natural consequence of the link between geography and the navigational complexity, but moving the ship to a new area or changing owners may require a costly re-approval. The…
Authors not listed
This comprehensive review examines the evolution of autonomous materials synthesis laboratories that integrate artificial intelligence with advanced robotics to accelerate discovery. Traditional materials development pipelines typically require 10-20 years, but self-driving laboratories (SDLs) and Materials…