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Thereza A. Soares
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2020 – today
- 2024
- [j22]Ronaldo C. Prati, Bruno S. M. Rodrigues, Iberis Aragão, Thereza A. Soares, Marcos G. Quiles, Juarez L. F. Da Silva:
The Impact of Interdisciplinary, Gender and Geographic Distributions on the Citation Patterns of the Journal of Chemical Information and Modeling. J. Chem. Inf. Model. 64(4): 1107-1111 (2024) - [j21]Tarak Karmakar, Thereza A. Soares, Kenneth M. Merz Jr.:
Enhancing Coarse-Grained Models through Machine Learning. J. Chem. Inf. Model. 64(8): 2931-2932 (2024) - [j20]Kenneth M. Merz Jr., Yee-Siew Choong, Zoe Cournia, Olexandr Isayev, Thereza A. Soares, Guo-Wei Wei, Feng Zhu:
Editorial: Machine Learning in Materials Science. J. Chem. Inf. Model. 64(10): 3959-3960 (2024) - [j19]Ganna Gryn'ova, Tristan Bereau, Carolin Müller, Pascal Friederich, Rebecca C. Wade, Ariane Nunes-Alves, Thereza A. Soares, Kenneth M. Merz Jr.:
EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning. J. Chem. Inf. Model. 64(15): 5737-5738 (2024) - 2023
- [j18]Thereza A. Soares, Zoe Cournia, Kevin J. Naidoo, Rommie E. Amaro, Habibah A. Wahab, Kenneth M. Merz Jr.:
Guidelines for Reporting Molecular Dynamics Simulations in JCIM Publications. J. Chem. Inf. Model. 63(11): 3227-3229 (2023) - [j17]Giulia Palermo, Thereza A. Soares:
Editorial: Editing DNA and RNA through Computations. J. Chem. Inf. Model. 63(24): 7603-7604 (2023) - 2022
- [j16]Denys E. S. Santos, Kaline Coutinho, Thereza A. Soares:
Surface Assessment via Grid Evaluation (SuAVE) for Every Surface Curvature and Cavity Shape. J. Chem. Inf. Model. 62(19): 4690-4701 (2022) - [j15]Guo-Wei Wei, Thereza A. Soares, Habibah A. Wahab, Feng Zhu:
Computational Chemistry in Asia. J. Chem. Inf. Model. 62(21): 5035-5037 (2022) - [j14]Thereza A. Soares, Ariane Nunes-Alves, Angelica Mazzolari, Fiorella Ruggiu, Guo-Wei Wei, Kenneth M. Merz Jr.:
The (Re)-Evolution of Quantitative Structure-Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning Methods. J. Chem. Inf. Model. 62(22): 5317-5320 (2022) - [j13]Zoe Cournia, Thereza A. Soares, Habibah A. Wahab, Rommie E. Amaro:
Celebrating Diversity, Equity, Inclusion, and Respect in Computational and Theoretical Chemistry. J. Chem. Inf. Model. 62(24): 6287-6291 (2022) - [j12]Michele Cascella, Thereza A. Soares:
Bias Amplification in Gender, Gender Identity, and Geographical Affiliation. J. Chem. Inf. Model. 62(24): 6297-6301 (2022) - [j11]Alexsander C. Vendite, Thereza A. Soares, Kaline Coutinho:
The Effect of Surface Composition on the Selective Capture of Atmospheric CO2 by ZIF Nanoparticles: The Case of ZIF-8. J. Chem. Inf. Model. 62(24): 6530-6543 (2022) - 2021
- [j10]Guo-Wei Wei, Thereza A. Soares, Habibah A. Wahab, Renxiao Wang:
Computational Chemistry in Asia. J. Chem. Inf. Model. 61(2): 547 (2021) - [j9]Zoe Cournia, Thereza A. Soares, Habibah A. Wahab, Rommie E. Amaro:
Advancing Women in Chemistry. J. Chem. Inf. Model. 61(11): 5305-5306 (2021) - 2020
- [j8]Thereza A. Soares, Habibah A. Wahab:
Outlook on the Development and Application of Molecular Simulations in Latin America. J. Chem. Inf. Model. 60(2): 435-438 (2020) - [j7]Denys E. S. Santos, Frederico J. S. Pontes, Roberto D. Lins, Kaline Coutinho, Thereza A. Soares:
SuAVE: A Tool for Analyzing Curvature-Dependent Properties in Chemical Interfaces. J. Chem. Inf. Model. 60(2): 473-484 (2020) - [j6]Kenneth M. Merz Jr., Rommie E. Amaro, Zoe Cournia, Matthias Rarey, Thereza A. Soares, Alexander Tropsha, Habibah A. Wahab, Renxiao Wang:
Editorial: Method and Data Sharing and Reproducibility of Scientific Results. J. Chem. Inf. Model. 60(12): 5868-5869 (2020) - [j5]Victor H. Rusu, Denys E. S. Santos, Marcelo Depólo Polêto, Marcelo Galheigo, Antônio Tadeu A. Gomes, Hugo Verli, Thereza A. Soares, Roberto D. Lins:
Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations. J. Chem. Inf. Model. 60(12): 5923-5927 (2020)
2010 – 2019
- 2019
- [j4]Thereza A. Soares, Habibah A. Wahab:
Molecular Simulation in Latin America: Coming of Age. J. Chem. Inf. Model. 59(9): 3601-3602 (2019) - 2017
- [j3]Denys E. S. Santos, Laercio Pol-Fachin, Roberto D. Lins, Thereza A. Soares:
Polymyxin Binding to the Bacterial Outer Membrane Reveals Cation Displacement and Increasing Membrane Curvature in Susceptible but Not in Resistant Lipopolysaccharide Chemotypes. J. Chem. Inf. Model. 57(9): 2181-2193 (2017) - 2014
- [j2]Roberta P. Dias, Lin Li, Thereza A. Soares, Emil Alexov:
Modeling the electrostatic potential of asymmetric lipopolysaccharide membranes: The MEMPOT algorithm implemented in DelPhi. J. Comput. Chem. 35(19): 1418-1429 (2014)
2000 – 2009
- 2008
- [c2]Elena S. Peterson, Eric G. Stephan, Abbie Corrigan, Roberto D. Lins, Thereza A. Soares, Randy Scarberry, Stuart Rose, Leigh Williams, Canhai Lai, Terence Critchlow, Tjerk P. Straatsma:
Northwest Trajectory Analysis Capability: A Platform for Enhancing Biophysics Analysis. BIOCOMP 2008: 558-562 - [c1]Diego Enry Barreto Gomes, Roberto D. Lins, Pedro Geraldo Pascutti, Tjerk P. Straatsma, Thereza A. Soares:
Molecular Models to Emulate Confinement Effects on the Internal Dynamics of Organophosphorous Hydrolase. BSB 2008: 68-78 - 2005
- [j1]Thereza A. Soares, Philippe H. Hünenberger, Mika A. Kastenholz, Vincent Kräutler, Thomas Lenz, Roberto D. Lins, Chris Oostenbrink, Wilfred F. van Gunsteren:
An improved nucleic acid parameter set for the GROMOS force field. J. Comput. Chem. 26(7): 725-737 (2005)
Coauthor Index
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last updated on 2024-10-07 22:07 CEST by the dblp team
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