Art v 4 Protein Structure as a Representative Template for Allergen Profilins: Homology Modeling and Molecular Dynamics

Haruna L. Barazorda-Ccahuana; Diego Ernesto Valencia; Jorge Alberto Aguilar-Pineda; Badhin Gómez

doi:10.1021/acsomega.8b02288

Art v 4 Protein Structure as a Representative Template for Allergen Profilins: Homology Modeling and Molecular Dynamics

ACS Omega ◽

10.1021/acsomega.8b02288 ◽

2018 ◽

Vol 3 (12) ◽

pp. 17254-17260 ◽

Cited By ~ 1

Author(s):

Haruna L. Barazorda-Ccahuana ◽

Diego Ernesto Valencia ◽

Jorge Alberto Aguilar-Pineda ◽

Badhin Gómez

Keyword(s):

Molecular Dynamics ◽

Protein Structure ◽

Homology Modeling

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Faculty Opinions recommendation of Molecular dynamics simulations of the native and partially folded states of ubiquitin: influence of methanol cosolvent, pH, and temperature on the protein structure and dynamics.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1088149.542736 ◽

2007 ◽

Author(s):

Bernard Montgomery Pettitt

Keyword(s):

Molecular Dynamics ◽

Protein Structure ◽

Molecular Dynamics Simulations ◽

Structure And Dynamics ◽

Dynamics Simulations ◽

Partially Folded States ◽

Protein Structure And Dynamics

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Integrated Computational Tools for Identification of CCR5 Antagonists as Potential HIV-1 Entry Inhibitors: Homology Modeling, Virtual Screening, Molecular Dynamics Simulations and 3D QSAR Analysis

Molecules ◽

10.3390/molecules19045243 ◽

2014 ◽

Vol 19 (4) ◽

pp. 5243-5265 ◽

Cited By ~ 7

Author(s):

Suri Moonsamy ◽

Radha Dash ◽

Mahmoud Soliman

Keyword(s):

Molecular Dynamics ◽

Virtual Screening ◽

Homology Modeling ◽

3D Qsar ◽

Computational Tools ◽

Qsar Analysis ◽

Entry Inhibitors ◽

Ccr5 Antagonists ◽

Dynamics Simulations ◽

Hiv 1

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Homology modeling and molecular dynamics simulation of N-myristoyltransferase from Plasmodium falciparum: an insight into novel antimalarial drug design

Journal of Molecular Modeling ◽

10.1007/s00894-015-2586-4 ◽

2015 ◽

Vol 21 (3) ◽

Cited By ~ 5

Author(s):

Paulomi Paul ◽

Abhishek Chowdhury ◽

Anupam Das Talukdar ◽

Manabendra Dutta Choudhury

Keyword(s):

Molecular Dynamics ◽

Plasmodium Falciparum ◽

Molecular Dynamics Simulation ◽

Drug Design ◽

Homology Modeling ◽

Antimalarial Drug ◽

Dynamics Simulation ◽

Insight Into

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Insight into TPMT∗23 mutation mis-folding using molecular dynamics simulation and protein structure analysis

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2012.721495 ◽

2013 ◽

Vol 31 (10) ◽

pp. 1066-1076 ◽

Cited By ~ 1

Author(s):

Sofiene Larif ◽

Chaker Ben Salem ◽

Zohra Soua ◽

Houssem Hmouda ◽

Kamel Bouraoui

Keyword(s):

Molecular Dynamics ◽

Protein Structure ◽

Molecular Dynamics Simulation ◽

Structure Analysis ◽

Dynamics Simulation ◽

Protein Structure Analysis ◽

Insight Into

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De novo protein structure prediction using ultra-fast molecular dynamics simulation

PLoS ONE ◽

10.1371/journal.pone.0205819 ◽

2018 ◽

Vol 13 (11) ◽

pp. e0205819 ◽

Cited By ~ 6

Author(s):

Ngaam J. Cheung ◽

Wookyung Yu

Keyword(s):

Molecular Dynamics ◽

Protein Structure ◽

Molecular Dynamics Simulation ◽

Protein Structure Prediction ◽

Structure Prediction ◽

De Novo ◽

Dynamics Simulation

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A computational study on cannabinoid receptors and potent bioactive cannabinoid ligands: homology modeling, docking, de novo drug design and molecular dynamics analysis

Molecular Diversity ◽

10.1007/s11030-009-9166-4 ◽

2009 ◽

Vol 14 (2) ◽

pp. 257-276 ◽

Cited By ~ 26

Author(s):

Serdar Durdagi ◽

Manthos G. Papadopoulos ◽

Panagiotis G. Zoumpoulakis ◽

Catherine Koukoulitsa ◽

Thomas Mavromoustakos

Keyword(s):

Molecular Dynamics ◽

Drug Design ◽

Homology Modeling ◽

Cannabinoid Receptors ◽

De Novo ◽

Computational Study ◽

Dynamics Analysis ◽

De Novo Drug Design

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Toward Selective Histone Deacetylase Inhibitor Design: Homology Modeling, Docking Studies, and Molecular Dynamics Simulations of Human Class I Histone Deacetylases

Journal of Medicinal Chemistry ◽

10.1021/jm0505011 ◽

2005 ◽

Vol 48 (22) ◽

pp. 6936-6947 ◽

Cited By ~ 146

Author(s):

Di-Fei Wang ◽

Paul Helquist ◽

Norbert L. Wiech ◽

Olaf Wiest

Keyword(s):

Molecular Dynamics ◽

Homology Modeling ◽

Molecular Dynamics Simulations ◽

Histone Deacetylase ◽

Histone Deacetylase Inhibitor ◽

Histone Deacetylases ◽

Docking Studies ◽

Human Class ◽

Deacetylase Inhibitor ◽

Dynamics Simulations

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Improved cryoEM-Guided Iterative Molecular Dynamics–Rosetta Protein Structure Refinement Protocol for High Precision Protein Structure Prediction

Journal of Chemical Theory and Computation ◽

10.1021/ct500995d ◽

2015 ◽

Vol 11 (3) ◽

pp. 1337-1346 ◽

Cited By ~ 24

Author(s):

Steffen Lindert ◽

J. Andrew McCammon

Keyword(s):

Molecular Dynamics ◽

Protein Structure ◽

Protein Structure Prediction ◽

High Precision ◽

Structure Prediction ◽

Structure Refinement ◽

Protein Structure Refinement

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Combining fragment homology modeling with molecular dynamics aims at prediction of Ca2+ binding sites in CaBPs

Journal of Computer-Aided Molecular Design ◽

10.1007/s10822-013-9668-0 ◽

2013 ◽

Vol 27 (8) ◽

pp. 697-705 ◽

Cited By ~ 5

Author(s):

ChunLi Pang ◽

TianGuang Cao ◽

JunWei Li ◽

MengWen Jia ◽

SuHua Zhang ◽

...

Keyword(s):

Molecular Dynamics ◽

Homology Modeling ◽

Binding Sites

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Homology modeling, docking, and molecular dynamics simulation of the receptor GALR2 and its interactions with galanin and a positive allosteric modulator

Journal of Molecular Modeling ◽

10.1007/s00894-016-2944-x ◽

2016 ◽

Vol 22 (4) ◽

Cited By ~ 6

Author(s):

Wen-Qi Hui ◽

Qi Cheng ◽

Tian-Yu Liu ◽

Qin Ouyang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Homology Modeling ◽

Dynamics Simulation ◽

Allosteric Modulator ◽

Positive Allosteric Modulator

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