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TITLE: Computing the pH-Dependent Thermodynamics of the Allostery between Dimerization and Palmitate Binding in β-Lactoglobulin
AUTHORS: da Rocha, Lucie; Campos, Sara R. R.; Baptista, Antonio M.;
PUBLISHED: 2025, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 129, ISSUE: 22
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
2
TITLE: Approach to Study pH-Dependent Protein Association Using Constant-pH Molecular Dynamics: Application to the Dimerization of beta-Lactoglobulin  Full Text
AUTHORS: da Rocha, Lucie; Baptista, Antonio M.; Campos, Sara R. R.;
PUBLISHED: 2022, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 18, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 9
IN MY: ORCID
3
TITLE: FixBox: A General Algorithm to Fix Molecular Systems in Periodic Boxes  Full Text
AUTHORS: Baptista, Antonio M.; da Rocha, Lucie; Campos, Sara R. R.;
PUBLISHED: 2022, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 62, ISSUE: 18
INDEXED IN: Scopus WOS CrossRef: 3
IN MY: ORCID
4
TITLE: Computational Study of the pH-Dependent Ionic Environment around beta-Lactoglobulin
AUTHORS: da Rocha, Lucie; Baptista, Antonio M.; Campos, Sara R. R.;
PUBLISHED: 2022, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 126, ISSUE: 45
INDEXED IN: Scopus WOS CrossRef: 4
IN MY: ORCID
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TITLE: Molecular Anatomy of Plant Photoprotective Switches: The Sensitivity of PsbS to the Environment, Residue by Residue  Full Text
AUTHORS: Liguori, N; Campos, SRR; Baptista, AM; Croce, R;
PUBLISHED: 2019, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY LETTERS, VOLUME: 10, ISSUE: 8
INDEXED IN: Scopus WOS CrossRef: 39
IN MY: ORCID
7
TITLE: Effect of pH on the influenza fusion peptide structure and activity: A constant-pH molecular dynamics approach  Full Text
AUTHORS: Lousa, D; Pinto, ART; Campos, SRR; Baptista, AM; Veiga, AS; Castanho, MARB; Soares, CM;
PUBLISHED: 2019, SOURCE: Joint 12th EBSA European Biophysics Congress / 10th IUPAP International Conference on Biological Physics (ICBP) in EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, VOLUME: 48
INDEXED IN: WOS
8
TITLE: Once Upon a Time in a Land Far Away: Guidelines for Spatio-Temporal Narrative Visualization  Full Text
AUTHORS: Sara Rodrigues; Ana Figueiras; Ilo Alexandre;
PUBLISHED: 2019, SOURCE: 23rd International Conference on the Information Visualisation (IV) - Incorporating Biomedical Visualization, Learning Analytics and Geometric Modelling and Imaging in 2019 23RD INTERNATIONAL CONFERENCE INFORMATION VISUALISATION (IV): BIOMEDICAL VISUALIZATION AND GEOMETRIC MODELLING & IMAGING, VOLUME: 2019-July
INDEXED IN: Scopus WOS
9
TITLE: Role of Counterions in Constant-pH Molecular Dynamics Simulations of PAMAM Dendrimers
AUTHORS: Reis, PBPS; Vila Vicosa, D; Campos, SRR; Baptista, AM; Machuqueiro, M ;
PUBLISHED: 2018, SOURCE: ACS OMEGA, VOLUME: 3, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 20
IN MY: ORCID
10
TITLE: Effect of a pH Gradient on the Protonation States of Cytochrome c Oxidase: A Continuum Electrostatics Study  Full Text
AUTHORS: Magalhães, PR; Oliveira, ASF; Campos, SRR; Soares, CM; Baptista, AM;
PUBLISHED: 2017, SOURCE: Journal of Chemical Information and Modeling, VOLUME: 57, ISSUE: 2
INDEXED IN: Scopus CrossRef: 5
IN MY: ORCID
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