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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
Decoding SARS-CoV‑2 Transmission and Evolution and Ramifications for COVID-19 Diagnosis, Vaccine, and Medicine
Decoding SARS-CoV‑2 Transmission and Evolution and Ramifications for COVID-19 Diagnosis, Vaccine, and Medicine
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Decoding SARS-CoV‑2 Transmission and Evolution and Ramifications for COVID-19 Diagnosis, Vaccine, and Medicine

Wang, Rui ; Hozumi, Yuta ; Yin, Changchuan ; Wei, Guo-Wei

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.5853-5865 [Periódico revisado por pares]

United States: American Chemical Society

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5
MIB: Metal Ion-Binding Site Prediction and Docking Server
MIB: Metal Ion-Binding Site Prediction and Docking Server
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MIB: Metal Ion-Binding Site Prediction and Docking Server

Lin, Yu-Feng ; Cheng, Chih-Wen ; Shih, Chung-Shiuan ; Hwang, Jenn-Kang ; Yu, Chin-Sheng ; Lu, Chih-Hao

Journal of chemical information and modeling, 2016-12, Vol.56 (12), p.2287-2291 [Periódico revisado por pares]

United States: American Chemical Society

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6
Understanding the Energy Landscape of Intrinsically Disordered Protein Ensembles
Understanding the Energy Landscape of Intrinsically Disordered Protein Ensembles
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Understanding the Energy Landscape of Intrinsically Disordered Protein Ensembles

Viegas, Rafael G. ; Martins, Ingrid B. S. ; Leite, Vitor B. P.

Journal of chemical information and modeling, 2024-05, Vol.64 (10), p.4149-4157 [Periódico revisado por pares]

United States: American Chemical Society

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7
LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery
LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery
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LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery

Laskowski, Roman A ; Swindells, Mark B

Journal of chemical information and modeling, 2011-10, Vol.51 (10), p.2778-2786 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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8
Identification of Novel Inhibitors of Mycobacterium tuberculosis PknG Using Pharmacophore Based Virtual Screening, Docking, Molecular Dynamics Simulation, and Their Biological Evaluation
Identification of Novel Inhibitors of Mycobacterium tuberculosis PknG Using Pharmacophore Based Virtual Screening, Docking, Molecular Dynamics Simulation, and Their Biological Evaluation
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Identification of Novel Inhibitors of Mycobacterium tuberculosis PknG Using Pharmacophore Based Virtual Screening, Docking, Molecular Dynamics Simulation, and Their Biological Evaluation

Singh, Nidhi ; Tiwari, Sameer ; Srivastava, Kishore K ; Siddiqi, Mohammad Imran

Journal of chemical information and modeling, 2015-06, Vol.55 (6), p.1120-1129 [Periódico revisado por pares]

United States: American Chemical Society

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9
Protein–Ligand Scoring with Convolutional Neural Networks
Protein–Ligand Scoring with Convolutional Neural Networks
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Protein–Ligand Scoring with Convolutional Neural Networks

Ragoza, Matthew ; Hochuli, Joshua ; Idrobo, Elisa ; Sunseri, Jocelyn ; Koes, David Ryan

Journal of chemical information and modeling, 2017-04, Vol.57 (4), p.942-957 [Periódico revisado por pares]

United States: American Chemical Society

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10
Structural Basis of Specific Binding between Aurora A and TPX2 by Molecular Dynamics Simulations
Structural Basis of Specific Binding between Aurora A and TPX2 by Molecular Dynamics Simulations
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Structural Basis of Specific Binding between Aurora A and TPX2 by Molecular Dynamics Simulations

Cheng, Yuanhua ; Zhang, Fushi ; Chen, Quan ; Gao, Jian ; Cui, Wei ; Ji, Mingjuan ; Tung, Chen-Ho

Journal of chemical information and modeling, 2011-10, Vol.51 (10), p.2626-2635 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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