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Refinado por: Nome da Publicação: Journal Of Chemical Information And Modeling remover
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1
Identification of electrostatic epitopes in flavivirus by computer simulations the PROCEEDpKa method
Identification of electrostatic epitopes in flavivirus by computer simulations the PROCEEDpKa method
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Identification of electrostatic epitopes in flavivirus by computer simulations the PROCEEDpKa method

Sergio Alejandro Poveda Cuevas Catherine Etchebest; Fernando Luís Barroso da Silva

Journal of Chemical Information and Modeling Washington v. 60, n. 2, p. 944-963, 2019

Washington 2019

Localização: FCFRP - Fac. Ciên. Farm. Ribeirão Preto    (pcd 3089754 Acervo Digital )(Acessar)

2
How the strain origin of Zika Virus NS1 protein impacts its dynamics and implications to their differential virulence
How the strain origin of Zika Virus NS1 protein impacts its dynamics and implications to their differential virulence
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How the strain origin of Zika Virus NS1 protein impacts its dynamics and implications to their differential virulence

Sergio Alejandro Poveda Cuevas Fernando Luís Barroso da Silva; Catherine Etchebest

Journal of Chemical Information and Modeling Washington v. 61, n. 3, p. 1516-1530, 2021

Washington 2021

Localização: FCFRP - Fac. Ciên. Farm. Ribeirão Preto    (pcd 3090011 Acervo Digital )(Acessar)

3
Celebrating diversity, equity, inclusion, and respect in computational and theoretical chemistry [Editorial]
Celebrating diversity, equity, inclusion, and respect in computational and theoretical chemistry [Editorial]
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Celebrating diversity, equity, inclusion, and respect in computational and theoretical chemistry [Editorial]

Zoe Cournia Thereza A Soares; Habibah A Wahab; Rommie E Amaro

Journal of Chemical Information and Modeling Washington v. 62, n. 24, p. 6287-6291, 2022

Washington 2022

Localização: FFCLRP - Fac. Fil. Ciên. Let. de R. Preto    (pcd 3138581 Acervo Digital )(Acessar)

4
Highly Flexible Ligand Docking: Benchmarking of the DockThor Program on the LEADS-PEP Protein–Peptide Data Set
Highly Flexible Ligand Docking: Benchmarking of the DockThor Program on the LEADS-PEP Protein–Peptide Data Set
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Highly Flexible Ligand Docking: Benchmarking of the DockThor Program on the LEADS-PEP Protein–Peptide Data Set

Santos, Karina B ; Guedes, Isabella A ; Karl, Ana L. M ; Dardenne, Laurent E

Journal of chemical information and modeling, 2020-02, Vol.60 (2), p.667-683 [Periódico revisado por pares]

United States: American Chemical Society

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5
SARS-CoV‑2 Main Protease: A Molecular Dynamics Study
SARS-CoV‑2 Main Protease: A Molecular Dynamics Study
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SARS-CoV‑2 Main Protease: A Molecular Dynamics Study

Suárez, Dimas ; Díaz, Natalia

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.5815-5831 [Periódico revisado por pares]

United States: American Chemical Society

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6
Multi-CGAN: Deep Generative Model-Based Multiproperty Antimicrobial Peptide Design
Multi-CGAN: Deep Generative Model-Based Multiproperty Antimicrobial Peptide Design
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Multi-CGAN: Deep Generative Model-Based Multiproperty Antimicrobial Peptide Design

Yu, Haoqing ; Wang, Ruheng ; Qiao, Jianbo ; Wei, Leyi

Journal of chemical information and modeling, 2024-01, Vol.64 (1), p.316-326 [Periódico revisado por pares]

United States: American Chemical Society

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7
Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders
Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders
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Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders

Fonseca Lopez, Francini ; Miao, Jiayuan ; Damjanovic, Jovan ; Bischof, Luca ; Braun, Michael B. ; Ling, Yingjie ; Hartmann, Marcus D. ; Lin, Yu-Shan ; Kritzer, Joshua A.

Journal of chemical information and modeling, 2023-11, Vol.63 (21), p.6925-6937 [Periódico revisado por pares]

United States: American Chemical Society

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8
Recurrent Neural Network Model for Constructive Peptide Design
Recurrent Neural Network Model for Constructive Peptide Design
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Recurrent Neural Network Model for Constructive Peptide Design

Müller, Alex T ; Hiss, Jan A ; Schneider, Gisbert

Journal of chemical information and modeling, 2018-02, Vol.58 (2), p.472-479 [Periódico revisado por pares]

United States: American Chemical Society

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9
Populating Chemical Space with Peptides Using a Genetic Algorithm
Populating Chemical Space with Peptides Using a Genetic Algorithm
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Populating Chemical Space with Peptides Using a Genetic Algorithm

Capecchi, Alice ; Zhang, Alain ; Reymond, Jean-Louis

Journal of chemical information and modeling, 2020-01, Vol.60 (1), p.121-132 [Periódico revisado por pares]

United States: American Chemical Society

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10
Alanine Scanning Effects on the Biochemical and Biophysical Properties of Intrinsically Disordered Proteins: A Case Study of the Histidine to Alanine Mutations in Amyloid-β 42
Alanine Scanning Effects on the Biochemical and Biophysical Properties of Intrinsically Disordered Proteins: A Case Study of the Histidine to Alanine Mutations in Amyloid-β 42
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Alanine Scanning Effects on the Biochemical and Biophysical Properties of Intrinsically Disordered Proteins: A Case Study of the Histidine to Alanine Mutations in Amyloid-β 42

Coskuner-Weber, Orkid ; Uversky, Vladimir N

Journal of chemical information and modeling, 2019-02, Vol.59 (2), p.871-884 [Periódico revisado por pares]

United States

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