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In Silico Drug Repurposing Approach: Investigation of Mycobacterium tuberculosis FadD32 Targeted by FDA-Approved Drugs
In Silico Drug Repurposing Approach: Investigation of Mycobacterium tuberculosis FadD32 Targeted by FDA-Approved Drugs
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In Silico Drug Repurposing Approach: Investigation of Mycobacterium tuberculosis FadD32 Targeted by FDA-Approved Drugs

Ngidi, Nolwazi Thobeka Portia ; Machaba, Kgothatso Eugene ; Mhlongo, Ndumiso Nhlakanipho

Molecules (Basel, Switzerland), 2022-01, Vol.27 (3), p.668 [Periódico revisado por pares]

Switzerland: MDPI AG

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Molecular dynamics/order parameter extrapolation for bionanosystem simulations
Molecular dynamics/order parameter extrapolation for bionanosystem simulations
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Molecular dynamics/order parameter extrapolation for bionanosystem simulations

Miao, Yinglong ; Ortoleva, Peter J

Journal of computational chemistry, 2009-02, Vol.30 (3), p.423-437 [Periódico revisado por pares]

Hoboken: Wiley Subscription Services, Inc., A Wiley Company

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3
Cation-containing lipid membranes – experiment and md simulations
Cation-containing lipid membranes – experiment and md simulations
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Cation-containing lipid membranes – experiment and md simulations

Kučerka, N. ; Dushanov, E. ; Kholmurodov, Kt ; Katsaras, J. ; Uhríková, D.

Acta Facultatis Pharmaceuticae Universitatis Comenianae, 2017-11, Vol.64 (2), p.9-14 [Periódico revisado por pares]

Bratislava: De Gruyter Poland

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4
Macrophage-Targeted Punicalagin Nanoengineering to Alleviate Methotrexate-Induced Neutropenia: A Molecular Docking, DFT, and MD Simulation Analysis
Macrophage-Targeted Punicalagin Nanoengineering to Alleviate Methotrexate-Induced Neutropenia: A Molecular Docking, DFT, and MD Simulation Analysis
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Macrophage-Targeted Punicalagin Nanoengineering to Alleviate Methotrexate-Induced Neutropenia: A Molecular Docking, DFT, and MD Simulation Analysis

Karwasra, Ritu ; Ahmad, Shaban ; Bano, Nagmi ; Qazi, Sahar ; Raza, Khalid ; Singh, Surender ; Varma, Saurabh

Molecules (Basel, Switzerland), 2022-09, Vol.27 (18), p.6034 [Periódico revisado por pares]

Basel: MDPI AG

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5
Structural Analysis of a Genetically Encoded FRET Biosensor by SAXS and MD Simulations
Structural Analysis of a Genetically Encoded FRET Biosensor by SAXS and MD Simulations
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Structural Analysis of a Genetically Encoded FRET Biosensor by SAXS and MD Simulations

Reinartz, Ines ; Sarter, Mona ; Otten, Julia ; Höfig, Henning ; Pohl, Martina ; Schug, Alexander ; Stadler, Andreas M. ; Fitter, Jörg

Sensors (Basel, Switzerland), 2021-06, Vol.21 (12), p.4144 [Periódico revisado por pares]

Basel: MDPI AG

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6
A Multi-Rate Co-Simulation of Combined Phasor-Domain and Time-Domain Models for Large-Scale Wind Farms
A Multi-Rate Co-Simulation of Combined Phasor-Domain and Time-Domain Models for Large-Scale Wind Farms
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A Multi-Rate Co-Simulation of Combined Phasor-Domain and Time-Domain Models for Large-Scale Wind Farms

Li, Yupeng ; Shu, Dewu ; Shi, Fan ; Yan, Zheng ; Zhu, Yiying ; Tai, Nengling

IEEE transactions on energy conversion, 2020-03, Vol.35 (1), p.324-335 [Periódico revisado por pares]

New York: IEEE

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7
Interfacial thermal conductance between few to tens of layered-MoS2 and c-Si: Effect of MoS2 thickness
Interfacial thermal conductance between few to tens of layered-MoS2 and c-Si: Effect of MoS2 thickness
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Interfacial thermal conductance between few to tens of layered-MoS2 and c-Si: Effect of MoS2 thickness

Yuan, Pengyu ; Li, Chong ; Xu, Shen ; Liu, Jing ; Wang, Xinwei

Acta materialia, 2017-01, Vol.122 (C), p.152-165 [Periódico revisado por pares]

United States: Elsevier Ltd

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8
A new constructed macromolecule-pore structure of anthracite and its related gas adsorption: A molecular simulation study
A new constructed macromolecule-pore structure of anthracite and its related gas adsorption: A molecular simulation study
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A new constructed macromolecule-pore structure of anthracite and its related gas adsorption: A molecular simulation study

Yin, Tingting ; Liu, Dameng ; Cai, Yidong ; Liu, Zhihua ; Gutierrez, Marte

International journal of coal geology, 2020-03, Vol.220, p.103415, Article 103415 [Periódico revisado por pares]

Elsevier B.V

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9
Exploring the effect of E76K mutation on SHP2 cause gain‐of‐function activity by a molecular dynamics study
Exploring the effect of E76K mutation on SHP2 cause gain‐of‐function activity by a molecular dynamics study
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Exploring the effect of E76K mutation on SHP2 cause gain‐of‐function activity by a molecular dynamics study

Li, Wei‐Ya ; Wei, Hui‐Yu ; Sun, Ying‐Zhan ; Zhou, Hui ; Ma, Ying ; Wang, Run‐Ling

Journal of cellular biochemistry, 2018-12, Vol.119 (12), p.9941-9956 [Periódico revisado por pares]

United States: Wiley Subscription Services, Inc

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10
Molecular dynamics simulation study on the structures of fascin mutants
Molecular dynamics simulation study on the structures of fascin mutants
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Molecular dynamics simulation study on the structures of fascin mutants

Wu, Xiaodong ; Xu, Li‐Yan ; Li, En‐Min ; Dong, Geng

Journal of molecular recognition, 2023-01, Vol.36 (1), p.e2998-n/a [Periódico revisado por pares]

England: Wiley Subscription Services, Inc

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