skip to main content
Idioma:
Resultados 1 2 3 4 5 next page
Refinado por: Base de dados/Biblioteca: Academic OneFile remover Nome da Publicação: International Journal Of Molecular Sciences remover assunto: Simulation remover
Result Number Material Type Add to My Shelf Action Record Details and Options
1
Unraveling the Structural Changes in the DNA-Binding Region of Tumor Protein p53 ( TP53 ) upon Hotspot Mutation p53 Arg248 by Comparative Computational Approach
Unraveling the Structural Changes in the DNA-Binding Region of Tumor Protein p53 ( TP53 ) upon Hotspot Mutation p53 Arg248 by Comparative Computational Approach
Material Type:
Artigo 		Adicionar ao Meu Espaço

Unraveling the Structural Changes in the DNA-Binding Region of Tumor Protein p53 ( TP53 ) upon Hotspot Mutation p53 Arg248 by Comparative Computational Approach

Balasundaram, Ambritha ; Doss, C George Priya

International journal of molecular sciences, 2022-12, Vol.23 (24), p.15499 [Periódico revisado por pares]

Switzerland: MDPI AG

Texto completo disponível

Citações Citado por
2
Binding Thermodynamics and Dissociation Kinetics Analysis Uncover the Key Structural Motifs of Phenoxyphenol Derivatives as the Direct InhA Inhibitors and the Hotspot Residues of InhA
Binding Thermodynamics and Dissociation Kinetics Analysis Uncover the Key Structural Motifs of Phenoxyphenol Derivatives as the Direct InhA Inhibitors and the Hotspot Residues of InhA
Material Type:
Artigo 		Adicionar ao Meu Espaço

Binding Thermodynamics and Dissociation Kinetics Analysis Uncover the Key Structural Motifs of Phenoxyphenol Derivatives as the Direct InhA Inhibitors and the Hotspot Residues of InhA

Zhang, Qianqian ; Han, Jianting ; Zhu, Yongchang ; Tan, Shuoyan ; Liu, Huanxiang

International journal of molecular sciences, 2022-09, Vol.23 (17), p.10102 [Periódico revisado por pares]

Basel: MDPI AG

Texto completo disponível

Citações Citado por
3
Probing Mechanisms of Binding and Allostery in the SARS-CoV-2 Spike Omicron Variant Complexes with the Host Receptor: Revealing Functional Roles of the Binding Hotspots in Mediating Epistatic Effects and Communication with Allosteric Pockets
Probing Mechanisms of Binding and Allostery in the SARS-CoV-2 Spike Omicron Variant Complexes with the Host Receptor: Revealing Functional Roles of the Binding Hotspots in Mediating Epistatic Effects and Communication with Allosteric Pockets
Material Type:
Artigo 		Adicionar ao Meu Espaço

Probing Mechanisms of Binding and Allostery in the SARS-CoV-2 Spike Omicron Variant Complexes with the Host Receptor: Revealing Functional Roles of the Binding Hotspots in Mediating Epistatic Effects and Communication with Allosteric Pockets

Verkhivker, Gennady ; Agajanian, Steve ; Kassab, Ryan ; Krishnan, Keerthi

International journal of molecular sciences, 2022-09, Vol.23 (19), p.11542 [Periódico revisado por pares]

Basel: MDPI AG

Texto completo disponível

Citações Citado por
4
Enhancing Paraoxon Binding to Organophosphorus Hydrolase Active Site
Enhancing Paraoxon Binding to Organophosphorus Hydrolase Active Site
Material Type:
Artigo 		Adicionar ao Meu Espaço

Enhancing Paraoxon Binding to Organophosphorus Hydrolase Active Site

El Khoury, Léa ; Mobley, David L ; Ye, Dongmei ; Rempe, Susan B

International journal of molecular sciences, 2021-11, Vol.22 (23), p.12624 [Periódico revisado por pares]

Switzerland: MDPI AG

Texto completo disponível

Citações Citado por
5
Dynamics, a Powerful Component of Current and Future in Silico Approaches for Protein Design and Engineering
Dynamics, a Powerful Component of Current and Future in Silico Approaches for Protein Design and Engineering
Material Type:
Artigo 		Adicionar ao Meu Espaço

Dynamics, a Powerful Component of Current and Future in Silico Approaches for Protein Design and Engineering

Surpeta, Bartłomiej ; Sequeiros-Borja, Carlos Eduardo ; Brezovsky, Jan

International journal of molecular sciences, 2020-04, Vol.21 (8), p.2713 [Periódico revisado por pares]

Switzerland: MDPI AG

Texto completo disponível

Citações Citado por
6
Rational Design of a Thermostable 2'-Deoxyribosyltransferase for Nelarabine Production by Prediction of Disulfide Bond Engineering Sites
Rational Design of a Thermostable 2'-Deoxyribosyltransferase for Nelarabine Production by Prediction of Disulfide Bond Engineering Sites
Material Type:
Artigo 		Adicionar ao Meu Espaço

Rational Design of a Thermostable 2'-Deoxyribosyltransferase for Nelarabine Production by Prediction of Disulfide Bond Engineering Sites

Cruz, Guillermo ; Acosta, Javier ; Mancheño, Jose Miguel ; Del Arco, Jon ; Fernández-Lucas, Jesús

International journal of molecular sciences, 2022-10, Vol.23 (19), p.11806 [Periódico revisado por pares]

Switzerland: MDPI AG

Texto completo disponível

Citações Citado por
7
Computer Simulations and Network-Based Profiling of Binding and Allosteric Interactions of SARS-CoV-2 Spike Variant Complexes and the Host Receptor: Dissecting the Mechanistic Effects of the Delta and Omicron Mutations
Computer Simulations and Network-Based Profiling of Binding and Allosteric Interactions of SARS-CoV-2 Spike Variant Complexes and the Host Receptor: Dissecting the Mechanistic Effects of the Delta and Omicron Mutations
Material Type:
Artigo 		Adicionar ao Meu Espaço

Computer Simulations and Network-Based Profiling of Binding and Allosteric Interactions of SARS-CoV-2 Spike Variant Complexes and the Host Receptor: Dissecting the Mechanistic Effects of the Delta and Omicron Mutations

Verkhivker, Gennady ; Agajanian, Steve ; Kassab, Ryan ; Krishnan, Keerthi

International journal of molecular sciences, 2022-04, Vol.23 (8), p.4376 [Periódico revisado por pares]

Switzerland: MDPI AG

Texto completo disponível

Citações Citado por
8
A Conserved Allosteric Site on Drug-Metabolizing CYPs: A Systematic Computational Assessment
A Conserved Allosteric Site on Drug-Metabolizing CYPs: A Systematic Computational Assessment
Material Type:
Artigo 		Adicionar ao Meu Espaço

A Conserved Allosteric Site on Drug-Metabolizing CYPs: A Systematic Computational Assessment

Fischer, André ; Smieško, Martin

International journal of molecular sciences, 2021-12, Vol.22 (24), p.13215 [Periódico revisado por pares]

Switzerland: MDPI AG

Texto completo disponível

Citações Citado por
9
Plasticity of the 340-Loop in Influenza Neuraminidase Offers New Insight for Antiviral Drug Development
Plasticity of the 340-Loop in Influenza Neuraminidase Offers New Insight for Antiviral Drug Development
Material Type:
Artigo 		Adicionar ao Meu Espaço

Plasticity of the 340-Loop in Influenza Neuraminidase Offers New Insight for Antiviral Drug Development

Han, Nanyu ; Ng, Justin Tze Yang ; Li, Yanpeng ; Mu, Yuguang ; Huang, Zunxi

International journal of molecular sciences, 2020-08, Vol.21 (16), p.5655 [Periódico revisado por pares]

Switzerland: MDPI AG

Texto completo disponível

Citações Citado por
10
Identifying Residues for Substrate Recognition in Human GPAT4 by Molecular Dynamics Simulations
Identifying Residues for Substrate Recognition in Human GPAT4 by Molecular Dynamics Simulations
Material Type:
Artigo 		Adicionar ao Meu Espaço

Identifying Residues for Substrate Recognition in Human GPAT4 by Molecular Dynamics Simulations

Liu, Yulan ; Xu, Yunong ; Xu, Yinuo ; Zhao, Zhihao ; Cheng, Gui-Juan ; Ren, Ruobing ; Chiang, Ying-Chih

International journal of molecular sciences, 2024-04, Vol.25 (7), p.3729 [Periódico revisado por pares]

Switzerland: MDPI AG

Texto completo disponível

Citações Citado por
Resultados 1 2 3 4 5 next page

  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

Buscando em bases de dados remotas. Favor aguardar.