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Thereza A. Soares

university of são paulo

30H指数
138论文数
3.4K被引数
收录论文 64
发表时间
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Role of oscillatory solvent-mediated interactions for the differential capacitance of an electric double layer振荡溶剂介导相互作用对电双层微分电容的作用
errPhysical Chemistry Chemical Physics
IF2.9
err2026-09-16
err0
PREAI
errDaniel L. Z. Caetano; Icaro P. Caruso; Sidney J. de Carvalho; Thereza A. Soares; Sylvio May; Guilherme V. Bossa Corresponding Author
err分享
err收藏
SuAVE-Scatter: A Module for Integrating Simulations and SAXS/SANS AnalysesSuAVE-Scatter：用于整合模拟和SAXS/SANS分析的模块
errJournal of Chemical Information and Modeling
IF5.3
err2026-04-23
err0
errOAAI
errDaniel L. Z. Caetano; Anderson A. do Espirito Santo; Diane Lima; Denys E. S. Santos; Thereza A. Soares
err分享
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Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry推动理论化学与计算化学中的可重复性和开放数据
errJournal of Chemical Theory and Computation
IF5.5
err2026-04-23
err0
errOAAI
errRommie E. Amaro; Victor Batista; Jochen Blumberger; Yee Siew Choong; Clémence Corminboeuf; Zoe Cournia; Qiang Cui; Marco De Vivo; Francesco A. Evangelista; Yi Qin Gao; Debashree Ghosh; Xiao He; Olexandr Isayev; Syma Khalid; Johannes Kirchmair; John R. Kitchin; Haiyan Liu; Kevin J. Naidoo; Duc Nguyen; Ariane Nunes Alves; Giulia Palermo; Brett Savoie; Thereza A. Soares; Pratyush Tiwary; Guowei Wei; Xiao Zheng; Tong Zhu; Kenneth M. Merz Jr.; Laura Gagliardi
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Exploring the Interactions Between Methyl Methacrylate Polymers and the Bacterial Outer Membrane via Coarse-Grained Molecular Dynamics Simulations通过粗粒化分子动力学模拟探索甲基丙烯酸甲酯聚合物与细菌外膜之间的相互作用
errJournal of Chemical Information and Modeling
IF5.3
err2026-04-07
err0
errOAAI
errEduardo R. Almeida; Vinicius Firmino dos Santos; Madeleine Ramstedt; Thereza A. Soares
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LL-37 Driven Phase Transition and Stacking in Oligolamellar Gram-Negative Bacterial Membrane ModelsLL-37 驱动的相变和堆叠在寡层状革兰氏阴性细菌膜模型中
errAdvanced Functional Materials
IF19
err2026-03-11
err0
errOAAI
errBettina Tran; Diane C.A. Lima; Linda Sandblad; Madeleine Ramstedt; Thereza A. Soares; Stefan Salentinig
err分享
err收藏
Acidic pH Modulates Headgroup Orientation and Packing in Bis(monoacylglycero)phosphate Bilayers酸性pH调控双脂酰甘油磷酸盐双分子层中头基的取向和堆积
errACS Physical Chemistry Au
IF4.3
err2026-03-10
err0
errOAAI
errTayana Mazin Tsubone; Pedro Nunes de Oliveira Junior; Gustavo Scanavachi; Vinicius Firmino dos Santos; Antonio Rodrigues da Cunha; Ana Paula Ramos; Thereza A. Soares; Rosangela Itri
err分享
err收藏
Beyond Summary: Reviews That Shape the Field of Computational Molecular Sciences
errJournal of Chemical Information and Modeling
IF5.3
err2026-01-26
err0
errOAAI
errThereza A. Soares; Kenneth Merz Jr.
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The many dimeric faces of Lys49 PLA2-like proteins: Conformational plasticity and membrane binding drive functional dimer states
errProtein Science
IF5.2
err2026-01-20
err0
errOAAI
errDiane C. A. Lima; Vinicius Firmino dos Santos; Bernardo Rassi; Richard J. Ward; Thereza A. Soares
err分享
err收藏
Reflections on the 65 Years of the Journal of Chemical Information and Modeling: Scientific Impact, Community, and the Evolution of Computational Molecular Science
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-12-22
err0
PREAI
errSoares, Thereza A.; Merz Jr, Kenneth
err分享
err收藏
Coarse-Grained Parameters for Simulations of Methyl-Methacrylate-Based Polymer Brushes That Reproduce Experimental Swelling Coefficients粗粒度参数：用于模拟甲基丙烯酸甲酯基聚合物刷并再现实验溶胀系数
errMACROMOLECULES
IF5.2
err2025-05-24
err0
errOAAI
errdos Santos, Vinicius Firmino; Almeida, Eduardo R.; Souza, Lucas Miguel Pereira; Pimentel, Andre Silva; Ramstedt, Madeleine; Soares, Thereza A.
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Computational Chemistry in the Global South: A Latin American Perspective
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-25
err0
PREAI
errPantano, Sergio; Capece, Luciana; Gagliardi, Laura; Merz, Kenneth M.; Batista, Victor; Soares, Thereza A.
err分享
err收藏
Computational Chemistry in the Global South: A Latin American Perspective
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-02-24
err0
PREAI
errPantano, Sergio; Capece, Luciana; Gagliardi, Laura; Merz Jr, Kenneth M.; Batista, Victor; Soares, Thereza A.
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EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-08-12
err0
errOAAI
errGryn'ova, Ganna; Bereau, Tristan; Muller, Carolin; Friederich, Pascal; Wade, Rebecca C.; Nunes-Alves, Ariane; Soares, Thereza A.; Merz Jr, Kenneth
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Interfacial structurization between triolein and water from pH and buffer ions
errJOURNAL OF COLLOID AND INTERFACE SCIENCE
IF9.7
err2024-07-01
err4
errOAAI
errFrigerio, Matteo; Freire, Rafael V. M.; Soares, Thereza A.; Amenitsch, Heinz; Leser, Martin E.; Salentinig, Stefan
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Editorial: Machine Learning in Materials Science社论: 材料科学中的机器学习
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-05-27
err0
errOAAI
errMerz, Kenneth M.; Choong, Yee Siew; Cournia, Zoe; Isayev, Olexandr; Soares, Thereza A.; Wei, Guo-Wei; Zhu, Feng
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Enhancing Coarse-Grained Models through Machine Learning
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-04-22
err0
errOAAI
errKarmakar, Tarak; Soares, Thereza A.; Merz Jr, Kenneth M.
err分享
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The Impact of Interdisciplinary, Gender and Geographic Distributions on the Citation Patterns of the Journal of Chemical Information and Modeling
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-02-12
err4
PREAI
errPrati, Ronaldo C.; Rodrigues, Bruno S. M.; Aragao, Iberis; Soares, Thereza A.; Quiles, Marcos G.; Da Silva, Juarez L. F.
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Editing DNA and RNA through Computations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-12-25
err0
PREAI
errPalermo, Giulia; Soares, Thereza A.
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Guidelines for Reporting Molecular Dynamics Simulations in JCIM Publications
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-05-16
err14
PREAI
errSoares, Thereza A.; Cournia, Zoe; Naidoo, Kevin; Amaro, Rommie; Wahab, Habibah; Merz Jr, Kenneth M. M.
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Inhibition of 3-Hydroxykynurenine Transaminase from Aedes aegypti and Anopheles gambiae: A Mosquito-Specific Target to Combat the Transmission of Arboviruses
errACS BIO & MED CHEM AU
IF4.3
err2023-02-16
err4
errOAAI
errMaciel, Larissa G.; Ferraz, Matheus V. F.; Oliveira, Andrew A.; Lins, Roberto D.; dos Anjos, Janaina V.; Guido, Rafael V. C.; Soares, Thereza A.
err分享
err收藏

研究方向

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