António M. Baptista

Orcid: 0000-0002-7641-5937

According to our database1, António M. Baptista authored at least 22 papers between 2000 and 2022.

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Bibliography

2022
FixBox: A General Algorithm to Fix Molecular Systems in Periodic Boxes.
J. Chem. Inf. Model., 2022

2017
Effect of a pH Gradient on the Protonation States of Cytochrome <i>c</i> Oxidase: A Continuum Electrostatics Study.
J. Chem. Inf. Model., 2017

2015
Correction to "Structural Effects of pH and Deacylation on Surfactant Protein C in an Organic Solvent Mixture: A Constant-pH MD Study".
J. Chem. Inf. Model., 2015

The Effect of Membrane Environment on Surfactant Protein C Stability Studied by Constant-pH Molecular Dynamics.
J. Chem. Inf. Model., 2015

2014
Exploring O<sub>2</sub> Diffusion in A-Type Cytochrome <i>c</i> Oxidases: Molecular Dynamics Simulations Uncover Two Alternative Channels towards the Binuclear Site.
PLoS Comput. Biol., 2014

2013
Structural Effects of pH and Deacylation on Surfactant Protein C in an Organic Solvent Mixture: A Constant-pH MD Study.
J. Chem. Inf. Model., 2013

US Experience Will Advance Gulf Ecosystem Research.
Proceedings of the Geo-Informatics in Resource Management and Sustainable Ecosystem, 2013

2012
Structural Determinants for the Membrane Insertion of the Transmembrane Peptide of Hemagglutinin from Influenza Virus.
J. Chem. Inf. Model., 2012

Analyzing the Molecular Basis of Enzyme Stability in Ethanol/Water Mixtures Using Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2012

Navigating Oceans of Data.
Proceedings of the Scientific and Statistical Database Management, 2012

2011
Inter-domain Communication Mechanisms in an ABC Importer: A Molecular Dynamics Study of the MalFGK<sub>2</sub>E Complex.
PLoS Comput. Biol., 2011

2008
Scientific Exploration in the Era of Ocean Observatories.
Comput. Sci. Eng., 2008

End-to-End eScience: Integrating Workflow, Query, Visualization, and Provenance at an Ocean Observatory.
Proceedings of the Fourth International Conference on e-Science, 2008

2007
Erratum to "Fast neural network surrogates for very high dimensional physics-based models in computational oceanography" [Neural Netw. 20(4) (2007) 462-478].
Neural Networks, 2007

Fast neural network surrogates for very high dimensional physics-based models in computational oceanography.
Neural Networks, 2007

Adaptive sampling in the COlumbia RIvEr observation network.
Proceedings of the 5th International Conference on Embedded Networked Sensor Systems, 2007

Near Optimal Sensor Selection in the COlumbia RIvEr (CORIE) Observation Network for Data Assimilation Using Genetic Algorithms.
Proceedings of the Distributed Computing in Sensor Systems, 2007

2003
Visualizing Spatial and Temporal Variability in Coastal Observatories.
Proceedings of the 14th IEEE Visualization Conference, 2003

Understanding Ecosystems through Observation and Simulation.
Proceedings of the IEEE Symposium on Parallel and Large-Data Visualization and Graphics 2003, 2003

Parameterized Novelty Detectors for Environmental Sensor Monitoring.
Proceedings of the Advances in Neural Information Processing Systems 16 [Neural Information Processing Systems, 2003

2001
Implicit solvation in the self-consistent mean field theory method: sidechain modelling and prediction of folding free energies of protein mutants.
J. Comput. Aided Mol. Des., 2001

2000
Research challenges in environmental observation and forecasting systems.
Proceedings of the MOBICOM 2000, 2000


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