Design of nanobody targeting SARS-CoV-2 spike glycoprotein using CDR-grafting assisted by molecular simulation and machine learning. by Matheus V F Ferraz, W Camilla S Adan, Tayná E Lima, Adriele J C Santos, Sérgio O de Paula, Rafael Dhalia, Gabriel L Wallau, Rebecca C Wade, Isabelle F T Viana, Roberto D Lins

“…Here, we introduce a complementarity-determining region (CDR) grafting approach for designing nanobodies (Nbs) that target specific epitopes, with the aid of computer simulation and machine learning. As a proof-of-concept, we designed, evaluated, and characterized a high-affinity Nb against the spike protein of SARS-CoV-2, the causative agent of the COVID-19 pandemic. …”
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Advanced articulated motion prediction by Anthony Belessis, Iliana Loi, Konstantinos Moustakas

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WisdomModel: convert data into wisdom by Israa Mahmood, Hasanen Abdullah

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Benchmarking machine learning models for predicting lithium ion migration by Artem D. Dembitskiy, Innokentiy S. Humonen, Roman A. Eremin, Dmitry A. Aksyonov, Stanislav S. Fedotov, Semen A. Budennyy

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Deep reinforcement learning for inverse inorganic materials design by Christopher Karpovich, Elton Pan, Elsa A. Olivetti

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Modelling the potential use of pre-exposure prophylaxis to reduce nosocomial SARS-CoV-2 transmission. by Lauren Stewart, Stephanie Evans, Teresa Brevini, Fotios Sampaziotis, Christopher J R Illingworth

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Exploring the use of generative AI for material texturing in 3D interior design spaces by Rgee Wharlo Gallega, Yasuyuki Sumi

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Operator-agnostic and real-time usable psychophysiological models of trust, workload, and situation awareness by Erin E. Richardson, Jacob R. Kintz, Savannah L. Buchner, Torin K. Clark, Allison P. Hayman

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Evolving usability heuristics for visualising Augmented Reality/Mixed Reality applications using cognitive model of information processing and fuzzy analytical hierarchy process by T. V. Sumithra, Leena Ragha, Arpit Vaishya, Rishi Desai

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Inferring the source of transmission with phylogenetic data. by Erik M Volz, Simon D W Frost

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Massive discovery of crystal structures across dimensionalities by leveraging vector quantization by ZiJie Qiu, Luozhijie Jin, Zijian Du, Hongyu Chen, Guanyao Mao, Yan Cen, Siqi Sun, Yongfeng Mei, Hao Zhang

“…Abstract Discovering new functional crystalline materials through computational methods remains a challenge in materials science. …”
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Unlocking the black box beyond Bayesian global optimization for materials design using reinforcement learning by Yuehui Xian, Xiangdong Ding, Xue Jiang, Yumei Zhou, Jun Sun, Dezhen Xue, Turab Lookman

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Experimental validation of computerised models of clustering of platelet glycoprotein receptors that signal via tandem SH2 domain proteins. by Zahra Maqsood, Joanne C Clark, Eleyna M Martin, Yam Fung Hilaire Cheung, Luis A Morán, Sean E T Watson, Jeremy A Pike, Ying Di, Natalie S Poulter, Alexandre Slater, Bodo M H Lange, Bernhard Nieswandt, Johannes A Eble, Mike G Tomlinson, Dylan M Owen, David Stegner, Lloyd J Bridge, Christoph Wierling, Steve P Watson

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Northern goshawk optimization for optimal reactive power compensation in photovoltaic low-voltage radial distribution networks by Shaikh Sohail Mohiyodin, Rajesh Maharudra Patil, Dr MS Nagaraj

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Hybrid Neural Network Approach with Physical Constraints for Predicting the Potential Occupancy Set of Surrounding Vehicles by Bin Sun, Shichun Yang, Jiayi Lu, Yu Wang, Xinjie Feng, Yaoguang Cao

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Intelligent Innovation Dataset on Scientific Research Outcomes and Patents by Xinran Wu, Hui Zou, Yidan Xing, Jingjing Qu, Weiwei Guo, Xiaoming Fu

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SLM-MATRIX: a multi-agent trajectory reasoning and verification framework for enhancing language models in materials data extraction by Xin Li, Zhixuan Huang, Shu Quan, Cheng Peng, Xiaoming Ma

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How deep can straight instruments be inserted into the femoral canal: a simulation study based on cadaveric femora* by David Putzer, Sebastian Klug, Jose Luis Moctezuma, Eckart Mayr, Michael Nogler

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An Approach using Skeleton-based Representations and Neural Networks for Yoga Pose Recognition by Nguyen Hai Thanh, Truong Nguyen Nhat, Pham Linh Thuy Thi, Pham Ngoc Huynh

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A comprehensive systematic review of intrusion detection systems: emerging techniques, challenges, and future research directions by Arjun Kumar Bose Arnob, Rajarshi Roy Chowdhury, Nusrat Alam Chaiti, Sudipta Saha, Ajoy Roy

“… The role of Intrusion Detection Systems (IDS) in the protection against the increasing variety of cybersecurity threats in complex environments, including the Internet of Things (IoT), cloud computing, and industrial networks. This study evaluates the existing state-of-the-art IDS methodologies using Deep Learning (DL) approaches, and advanced feature engineering techniques. …”
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