Search Results - "Ribeiro, João"

Machine learning approaches for analyzing and enhancing molecular dynamics simulations by Wang, Yihang, Lamim Ribeiro, João Marcelo, Tiwary, Pratyush

“…•Machine learning and artificial intelligence approaches have been leveraged for MD.•One machine learning contribution is in removing noise to make MD data…”
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Past–future information bottleneck for sampling molecular reaction coordinate simultaneously with thermodynamics and kinetics by Wang, Yihang, Ribeiro, João Marcelo Lamim, Tiwary, Pratyush

“…The ability to rapidly learn from high-dimensional data to make reliable bets about the future is crucial in many contexts. This could be a fly avoiding…”
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A combination of machine learning and infrequent metadynamics to efficiently predict kinetic rates, transition states, and molecular determinants of drug dissociation from G protein-coupled receptors by Lamim Ribeiro, João Marcelo, Provasi, Davide, Filizola, Marta

“…Determining the drug-target residence time (RT) is of major interest in drug discovery given that this kinetic parameter often represents a better indicator of…”
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Evolution, Current Challenges, and Future Possibilities in ECG Biometrics by Pinto, Joao Ribeiro, Cardoso, Jaime S., Lourenco, Andre

“…Face and fingerprint are, currently, the most thoroughly explored biometric traits, promising reliable recognition in diverse applications. Commercial products…”
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Polydimethylsiloxane Composites Characterization and Its Applications: A Review by Ariati, Ronaldo, Sales, Flaminio, Souza, Andrews, Lima, Rui A., Ribeiro, João

“…Polydimethylsiloxane (PDMS) is one of the most promising elastomers due its remarkable proprieties such as good thermal stability, biocompatibility, corrosion…”
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Toward Achieving Efficient and Accurate Ligand-Protein Unbinding with Deep Learning and Molecular Dynamics through RAVE by Lamim Ribeiro, João Marcelo, Tiwary, Pratyush

“…In this work, we demonstrate how to leverage our recent iterative deep learning–all atom molecular dynamics (MD) technique “Reweighted autoencoded variational…”
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The Impact of COVID-19 Pandemic on Psychiatric Emergency Department Visits – A Descriptive Study by Gonçalves-Pinho, Manuel, Mota, Pedro, Ribeiro, João, Macedo, Silvério, Freitas, Alberto

“…The coronavirus disease 2019 pandemic (COVID-19) has an important direct and indirect impact on both physical and mental health. We aim to describe the impact…”
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Properties and Applications of PDMS for Biomedical Engineering: A Review by Miranda, Inês, Souza, Andrews, Sousa, Paulo, Ribeiro, João, Castanheira, Elisabete M S, Lima, Rui, Minas, Graça

“…Polydimethylsiloxane (PDMS) is an elastomer with excellent optical, electrical and mechanical properties, which makes it well-suited for several engineering…”
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Non-Asymptotic Capacity Upper Bounds for the Discrete-Time Poisson Channel With Positive Dark Current by Cheraghchi, Mahdi, Ribeiro, Joao

“…We derive improved and easily computable upper bounds on the capacity of the discrete-time Poisson channel under an average-power constraint and an arbitrary…”
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Team Sports Performance Analysed Through the Lens of Social Network Theory: Implications for Research and Practice by Ribeiro, João, Silva, Pedro, Duarte, Ricardo, Davids, Keith, Garganta, Júlio

“…This paper discusses how social network analyses and graph theory can be implemented in team sports performance analyses to evaluate individual (micro) and…”
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Dot by dot: analyzing the glycome using lectin microarrays by Ribeiro, João P, Mahal, Lara K

“…•This review focuses on the advances in the field of the lectin microarray technology.•Continuous improvements and technological advances of lectin microarrays…”
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Allostery in G protein-coupled receptors investigated by molecular dynamics simulations by Lamim Ribeiro, João Marcelo, Filizola, Marta

“…G-protein-coupled receptors (GPCRs) are allosteric signaling machines that trigger distinct functional responses depending on the particular conformational…”
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Kinetics of Ligand–Protein Dissociation from All-Atom Simulations: Are We There Yet? by Ribeiro, João Marcelo Lamim, Tsai, Sun-Ting, Pramanik, Debabrata, Wang, Yihang, Tiwary, Pratyush

“…Large parallel gains in the development of both computational resources and sampling methods have now made it possible to simulate dissociation events in…”
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Towards a Continuous Biometric System Based on ECG Signals Acquired on the Steering Wheel by Pinto, João Ribeiro, Cardoso, Jaime S, Lourenço, André, Carreiras, Carlos

“…Electrocardiogram signals acquired through a steering wheel could be the key to seamless, highly comfortable, and continuous human recognition in driving…”
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Mapping Three Decades of Changes in the Brazilian Savanna Native Vegetation Using Landsat Data Processed in the Google Earth Engine Platform by Alencar, Ane, Z. Shimbo, Julia, Lenti, Felipe, Balzani Marques, Camila, Zimbres, Bárbara, Rosa, Marcos, Arruda, Vera, Castro, Isabel, Fernandes Márcico Ribeiro, João, Varela, Victória, Alencar, Isa, Piontekowski, Valderli, Ribeiro, Vivian, M. C. Bustamante, Mercedes, Eyji Sano, Edson, Barroso, Mario

“…Widespread in the subtropics and tropics of the Southern Hemisphere, savannas are highly heterogeneous and seasonal natural vegetation types, which makes…”
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HOTSPOT: An ad hoc teamwork platform for mixed human-robot teams by Ribeiro, João G, Henriques, Luis Müller, Colcher, Sérgio, Duarte, Julio Cesar, Melo, Francisco S, Milidiú, Ruy Luiz, Sardinha, Alberto

“…Ad hoc teamwork is a research topic in multi-agent systems whereby an agent (the "ad hoc agent") must successfully collaborate with a set of unknown agents…”
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The nexus between water, energy, and food in the context of the global risks: An analysis of the interactions between food, water, and energy security by de Amorim, Wellyngton Silva, Valduga, Isabela Blasi, Ribeiro, João Marcelo Pereira, Guazzelli Williamson, Victoria, Krauser, Grace Ellen, Magtoto, Mica Katrina, de Andrade Guerra, José Baltazar Salgueirinho Osório

“…The purpose of this article is to analyze the interactions between water, energy, and food security, referenced in this study as the nexus between water,…”
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VMD as a Platform for Interactive Small Molecule Preparation and Visualization in Quantum and Classical Simulations by Spivak, Mariano, Stone, John E., Ribeiro, João, Saam, Jan, Freddolino, Peter L., Bernardi, Rafael C., Tajkhorshid, Emad

“…Modeling and simulation of small molecules such as drugs and biological cofactors have been both a major focus of computational chemistry for decades and a…”
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Tailor-made Janus lectin with dual avidity assembles glycoconjugate multilayers and crosslinks protocells by Ribeiro, João P, Villringer, Sarah, Goyard, David, Coche-Guerente, Liliane, Höferlin, Manuela, Renaudet, Olivier, Römer, Winfried, Imberty, Anne

“…We engineered the first chimeric, bispecific lectin, with two rationally oriented and distinct recognition surfaces. This lectin, coined Janus lectin in…”
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The new record of drought and warmth in the Amazon in 2023 related to regional and global climatic features by Espinoza, Jhan-Carlo, Jimenez, Juan Carlos, Marengo, José Antonio, Schongart, Jochen, Ronchail, Josyane, Lavado-Casimiro, Waldo, Ribeiro, João Vitor M.

“…In 2023 Amazonia experienced both historical drought and warm conditions. On October 26th 2023 the water levels at the port of Manaus reached its lowest record…”
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