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2020 – today
- 2024
[j9]Farzin Sohraby
, Ariane Nunes-Alves:
Characterization of the Bottlenecks and Pathways for Inhibitor Dissociation from [NiFe] Hydrogenase. J. Chem. Inf. Model. 64(10): 4193-4203 (2024)- [j8]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
- [j7]Ariane Nunes-Alves, Kenneth M. Merz Jr.:
AlphaFold2 in Molecular Discovery. J. Chem. Inf. Model. 63(19): 5947-5949 (2023) - 2022
- [j6]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) - 2021
- [j5]Ariane Nunes-Alves, Fabian Ormersbach, Rebecca C. Wade:
Prediction of the Drug-Target Binding Kinetics for Flexible Proteins by Comparative Binding Energy Analysis. J. Chem. Inf. Model. 61(7): 3708-3721 (2021) - 2020
- [j4]Ariane Nunes-Alves:
From Brazil to Germany: Challenges and Advantages. J. Chem. Inf. Model. 60(2): 449-451 (2020) - [j3]Angelica Mazzolari, Ariane Nunes-Alves, Habibah A. Wahab, Rommie E. Amaro, Zoe Cournia, Kenneth M. Merz Jr.:
Impact of the Journal of Chemical Information and Modeling Special Issue on Women in Computational Chemistry. J. Chem. Inf. Model. 60(7): 3328-3330 (2020) - [j2]Ariane Nunes-Alves, Angelica Mazzolari, Kenneth M. Merz Jr.:
What Makes a Paper Be Highly Cited? 60 Years of the Journal of Chemical Information and Modeling. J. Chem. Inf. Model. 60(12): 5866-5867 (2020)
2010 – 2019
- 2014
- [j1]Ariane Nunes-Alves, Guilherme Menegon Arantes:
Ligand-Receptor Affinities Computed by an Adapted Linear Interaction Model for Continuum Electrostatics and by Protein Conformational Averaging. J. Chem. Inf. Model. 54(8): 2309-2319 (2014)
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