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Effects of synergistic and non-synergistic anions on the iron binding site from serum transferrin: A molecular dynamic simulation analysis
Effects of synergistic and non-synergistic anions on the iron binding site from serum transferrin: A molecular dynamic simulation analysis
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Effects of synergistic and non-synergistic anions on the iron binding site from serum transferrin: A molecular dynamic simulation analysis

Ghanbari, Z. ; Housaindokht, M.R. ; Bozorgmehr, M.R. ; Izadyar, M.

Journal of molecular graphics & modelling, 2017-11, Vol.78, p.176-186 [Periódico revisado por pares]

United States: Elsevier Inc

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2
Insights into the substrate binding specificity of quorum-quenching acylase PvdQ
Insights into the substrate binding specificity of quorum-quenching acylase PvdQ
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Insights into the substrate binding specificity of quorum-quenching acylase PvdQ

Liu, Yanyun ; Ebalunode, Jerry O. ; Briggs, James M.

Journal of molecular graphics & modelling, 2019-05, Vol.88, p.104-120 [Periódico revisado por pares]

United States: Elsevier Inc

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3
Molecular dynamics simulations of the flexibility and inhibition of SARS-CoV-2 NSP 13 helicase
Molecular dynamics simulations of the flexibility and inhibition of SARS-CoV-2 NSP 13 helicase
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Molecular dynamics simulations of the flexibility and inhibition of SARS-CoV-2 NSP 13 helicase

Raubenolt, Bryan A. ; Islam, Naeyma N. ; Summa, Christoper M. ; Rick, Steven W.

Journal of molecular graphics & modelling, 2022-05, Vol.112, p.108122-108122, Article 108122 [Periódico revisado por pares]

United States: Elsevier Inc

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4
Ensemble-based screening of natural products and FDA-approved drugs identified potent inhibitors of SARS-CoV-2 that work with two distinct mechanisms
Ensemble-based screening of natural products and FDA-approved drugs identified potent inhibitors of SARS-CoV-2 that work with two distinct mechanisms
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Ensemble-based screening of natural products and FDA-approved drugs identified potent inhibitors of SARS-CoV-2 that work with two distinct mechanisms

Shadrack, Daniel M. ; Deogratias, Geradius ; Kiruri, Lucy W. ; Swai, Hulda S. ; Vianney, John-Mary ; Nyandoro, Stephen S.

Journal of molecular graphics & modelling, 2021-06, Vol.105, p.107871-107871, Article 107871 [Periódico revisado por pares]

United States: Elsevier Inc

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5
In silico designing of hyper-glycosylated analogs for the human coagulation factor IX
In silico designing of hyper-glycosylated analogs for the human coagulation factor IX
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In silico designing of hyper-glycosylated analogs for the human coagulation factor IX

Ghasemi, Fahimeh ; Zomorodipour, Alireza ; Karkhane, Ali Asghar ; Khorramizadeh, M.Reza

Journal of molecular graphics & modelling, 2016-07, Vol.68, p.39-47 [Periódico revisado por pares]

United States: Elsevier Inc

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6
Probing the binding site characteristics of HSA: A combined molecular dynamics and cheminformatics investigation
Probing the binding site characteristics of HSA: A combined molecular dynamics and cheminformatics investigation
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Probing the binding site characteristics of HSA: A combined molecular dynamics and cheminformatics investigation

Pongprayoon, Prapasiri ; Gleeson, M. Paul

Journal of molecular graphics & modelling, 2014-11, Vol.54, p.164-173 [Periódico revisado por pares]

United States: Elsevier Inc

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7
Dynamics of TUBB protein with five majorly occurring natural variants: a risk of cortical dysplasia
Dynamics of TUBB protein with five majorly occurring natural variants: a risk of cortical dysplasia
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Dynamics of TUBB protein with five majorly occurring natural variants: a risk of cortical dysplasia

Janakiraman, V. ; Sudhan, M. ; Alzahrani, Khalid J. ; Alshammeri, Saleh ; Ahmed, Shiek S. S. J. ; Patil, Shankargouda

Journal of molecular modeling, 2023-04, Vol.29 (4), p.100-100, Article 100 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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8
Identification of lead BAY60-7550 analogues as potential inhibitors that utilize the hydrophobic groove in PDE2A: a molecular dynamics simulation study
Identification of lead BAY60-7550 analogues as potential inhibitors that utilize the hydrophobic groove in PDE2A: a molecular dynamics simulation study
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Identification of lead BAY60-7550 analogues as potential inhibitors that utilize the hydrophobic groove in PDE2A: a molecular dynamics simulation study

Kumar, Jitendra ; Umar, Tarana ; Kausar, Tasneem ; Mobashir, Mohammad ; Nayeem, Shahid M. ; Hoda, Nasimul

Journal of molecular modeling, 2017, Vol.23 (1), p.7-19, Article 7 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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9
Computational study of EGFR inhibition: molecular dynamics studies on the active and inactive protein conformations
Computational study of EGFR inhibition: molecular dynamics studies on the active and inactive protein conformations
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Computational study of EGFR inhibition: molecular dynamics studies on the active and inactive protein conformations

Songtawee, Napat ; Gleeson, M. Paul ; Choowongkomon, Kiattawee

Journal of molecular modeling, 2013-02, Vol.19 (2), p.497-509 [Periódico revisado por pares]

Berlin/Heidelberg: Springer-Verlag

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10
Insight into HIV-1 reverse transcriptase–aptamer interaction from molecular dynamics simulations
Insight into HIV-1 reverse transcriptase–aptamer interaction from molecular dynamics simulations
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Insight into HIV-1 reverse transcriptase–aptamer interaction from molecular dynamics simulations

Aeksiri, Niran ; Songtawee, Napat ; Gleeson, M. Paul ; Hannongbua, Supa ; Choowongkomon, Kiattawee

Journal of molecular modeling, 2014-08, Vol.20 (8), p.2380-2380, Article 2380 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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