16 papers · ranked by Valyu relevance
Marcin J Mizianty, Lukasz Kurgan
Background Knowledge of structural class is used by numerous methods for identification of structural/functional characteristics of proteins and could be used for the detection of remote homologues, particularly for chains that share twilight-zone similarity. In contrast to existing sequence-based structural class…
Yi Huang, Jinbin Chen, Qiao Jiang, Nan Huang + 3 more
'Xiaoyan Deng'] Background Proteus mirabilis is one of the pathogens commonly causing urinary tract infections (UTIs). The molybdate-binding protein ModA encoded by modA binds molybdate with high affinity and transports it. Increasing evidence shows that ModA promotes the survival of bacteria in anaerobic environments…
Min Jiao, Wenbo He, Zhenlin Ouyang, Qinyue Yu + 9 more
'Qian Qin' 'Ruochen Wang' 'Xiaolong Guo' 'Ruihan Liu' 'Xiaoyu He' 'Peter M. Hwang' 'Fang Zheng' 'Yurong Wen'] The rare metal element molybdenum functions as a cofactor in molybdoenzymes that are essential to life in almost all living things. Molybdate can be captured by the periplasmic substrate-binding protein ModA of…
Luca G. Mureddu, Edward J. Brooksbank, Geerten W. Vuister, Frederick W. Muskett
Nuclear Magnetic Resonance (NMR) relaxation experiments provide a powerful residue-resolved access to biomolecular dynamics across a wide range of timescales. Unfortunately, the quantitative analysis of the relaxation data remains distributed across specialised and often disconnected tools. Here, we present CcpNmr…
Xiaoxuan Ge, Michael P. Thorgersen, Farris L. Poole II, Adam M. Deutschbauer + 10 more
'Adam M. Deutschbauer' 'John-Marc Chandonia' 'Pavel S. Novichkov' 'Sara Gushgari-Doyle' 'Lauren M. Lui' 'Torben Nielsen' 'Romy Chakraborty' 'Paul D. Adams' 'Adam P. Arkin' 'Terry C. Hazen' 'Michael W. W. Adams'] A nitrate- and metal-contaminated site at the Oak Ridge Reservation (ORR) was previously shown to contain…
Panagiotis D. Kolokathis, Nikolaos K. Sidiropoulos, Dimitrios Zouraris, Dimitra-Danai Varsou + 20 more
Modelling Data (MODA) reporting guidelines have been proposed for common terminology and for recording metadata for physics-based materials modelling and simulations in a CEN Workshop Agreement (CWA 17284:2018). Their purpose is similar to that of the Quantitative Structure-Activity Relationship (QSAR) model report…
Tuan Ngo, A. Hegazi Hassan, Saad Shafiq, Nenad Medvidović
Deep Neural Networks (DNNs) suffer from significant retraining costs when adapting to evolving requirements. Modularizing DNNs offers the promise of improving their reusability. Previous work has proposed techniques to decompose DNN models into modules both during and after training. However, these strategies yield…
Wayner Barrios, Andrés Villa, Juan León Alcázar, SouYoung Jin + 1 more
Recently, Multimodal Large Language Models (MLLMs) have demonstrated impressive performance on instruction-following tasks by integrating pretrained visual encoders with large language models (LLMs). However, existing approaches often struggle to ground fine-grained visual concepts in complex scenes. In this paper, we…
Barry Rothberg, O. Kuhn, M. L. Edwards, John M. Hill + 3 more
'D. J. Thompson' 'C. Veillet' 'R. M. Wagner'] The current status of the facility instrumentation for the Large Binocular Telescope (LBT) is reviewed. The LBT encompasses two 8.4 meter primary mirrors on a single mount yielding an effective collecting area of 11.8 meters or 23 meters when interferometrically combined.…
Apostolos Modas
Présentée le 18 août 2022 Faculté des sciences et techniques de l'ingénieur Laboratoire de traitement des signaux 4 Programme doctoral en génie électrique pour l'obtention du grade de Docteur ès Sciences par Acceptée sur proposition du jury Prof. A. M. Alahi, président du jury Prof. P. Frossard, directeur de thèse Dr…
Lei Yang, Yue Zhang, Manfu Duan
Modality plays an important part in verbal communication, as it can reveal the speaker’s views and perspectives. The modal verb, as an essential component of the modality system, has been a hot research topic and a challenge in academic circles in recent years. Analyzing the modal verbs in a text may indicate the…
Maria Bzówka, Weronika Bagrowska, Artur Góra
Toll-like receptors (TLRs) are transmembrane proteins which recognise various molecular patterns and activate signalling that triggers the immune response. In this review, our goal was to summarise how, in recent years, various computational solutions contributed to a better understanding of TLRs, regarding both their…
Maria Bzówka, Weronika Bagrowska, Artur Góra
Toll-like receptors (TLRs) are transmembrane proteins which recognise various molecular patterns and activate signalling that triggers the immune response. In this review, our goal was to summarise how, in recent years, various computational solutions contributed to a better understanding of TLRs, regarding both their…
Authors not listed
Magnetic field effects play a key role in the characterisation of organic electronic materials. In particular, the microscopic processes underlying singlet fission and triplet-triplet annihilation have been clarified in recent years, through the observation and subsequent theoretical explanation of magnetic field…
Barak Raveh, Liping Sun, Kate L. White, Tanmoy Sanyal + 11 more
Comprehensive modeling of a whole cell requires an integration of vast amounts of information on various aspects of the cell and its parts. To divide-and-conquer this task, we introduce Bayesian metamodeling, a general approach to modeling complex systems by integrating a collection of heterogeneous input models. Each…
Antoni Matyjaszkiewicz, James Sharpe
Successful computational modelling of complex biological phenomena will depend on the seamless sharing of models and hypotheses among researchers of all backgrounds - experimental and theoretical. LimbNET, a new online tool for modelling, simulating and visualising spatiotemporal patterning in limb development, aims to…