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Identification of potential human pancreatic α-amylase inhibitors from natural products by molecular docking, MM/GBSA calculations, MD simulations, and ADMET analysis
Identification of potential human pancreatic α-amylase inhibitors from natural products by molecular docking, MM/GBSA calculations, MD simulations, and ADMET analysis
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Identification of potential human pancreatic α-amylase inhibitors from natural products by molecular docking, MM/GBSA calculations, MD simulations, and ADMET analysis

Basnet, Santosh ; Ghimire, Madhav Prasad ; Lamichhane, Tika Ram ; Adhikari, Rajendra ; Adhikari, Achyut Demissie, Taye Beyene

PloS one, 2023-03, Vol.18 (3), p.e0275765-e0275765 [Periódico revisado por pares]

United States: Public Library of Science

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Antigenic Peptide Prediction From E6 and E7 Oncoproteins of HPV Types 16 and 18 for Therapeutic Vaccine Design Using Immunoinformatics and MD Simulation Analysis
Antigenic Peptide Prediction From E6 and E7 Oncoproteins of HPV Types 16 and 18 for Therapeutic Vaccine Design Using Immunoinformatics and MD Simulation Analysis
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Antigenic Peptide Prediction From E6 and E7 Oncoproteins of HPV Types 16 and 18 for Therapeutic Vaccine Design Using Immunoinformatics and MD Simulation Analysis

Jabbar, Basit ; Rafique, Shazia ; Salo-Ahen, Outi M H ; Ali, Amjad ; Munir, Mobeen ; Idrees, Muhammad ; Mirza, Muhammad Usman ; Vanmeert, Michiel ; Shah, Syed Zawar ; Jabbar, Iqra ; Rana, Muhammad Adeel

Frontiers in immunology, 2018-12, Vol.9, p.3000-3000 [Periódico revisado por pares]

Switzerland: Frontiers Research Foundation

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3
Performance Analysis of the χMD Matrix Solver Package for MODFLOW‐USG
Performance Analysis of the χMD Matrix Solver Package for MODFLOW‐USG
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Performance Analysis of the χMD Matrix Solver Package for MODFLOW‐USG

Ibaraki, Motomu ; Zhang, Yiding ; Niswonger, Richard G. ; Panday, Sorab

Ground water, 2021-11, Vol.59 (6), p.905-912 [Periódico revisado por pares]

Malden, US: Blackwell Publishing Ltd

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4
Reaction Mechanism of Pyrolysis and Combustion of Methyl Oleate: A ReaxFF-MD Analysis
Reaction Mechanism of Pyrolysis and Combustion of Methyl Oleate: A ReaxFF-MD Analysis
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Reaction Mechanism of Pyrolysis and Combustion of Methyl Oleate: A ReaxFF-MD Analysis

Wei, Yu ; Zhang, Xiaohui ; Qing, Shan ; Wang, Hua

Energies (Basel), 2024-07, Vol.17 (14), p.3536 [Periódico revisado por pares]

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5
The relationship between tourism and economic growth among BRICS countries: A panel cointegration analysis
The relationship between tourism and economic growth among BRICS countries: A panel cointegration analysis
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The relationship between tourism and economic growth among BRICS countries: A panel cointegration analysis

Rasool, Haroon ; Maqbool, Shafat ; Tarique, Md

Future business journal, 2021-12, Vol.7 (1), p.1-11, Article 1 [Periódico revisado por pares]

Heidelberg: Springer

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6
NMR and MD Analysis of the Bonding Interaction of Vancomycin with Muramyl Pentapeptide
NMR and MD Analysis of the Bonding Interaction of Vancomycin with Muramyl Pentapeptide
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NMR and MD Analysis of the Bonding Interaction of Vancomycin with Muramyl Pentapeptide

Ślusarz, Rafał ; Dmochowska, Barbara ; Samaszko-Fiertek, Justyna ; Brzozowski, Krzysztof ; Madaj, Janusz

International journal of molecular sciences, 2022-01, Vol.23 (3), p.1146 [Periódico revisado por pares]

Switzerland: MDPI AG

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7
Label-Free SERS and MD Analysis of Biomarkers for Rapid Point-of-Care Sensors Detecting Head and Neck Cancer and Infections
Label-Free SERS and MD Analysis of Biomarkers for Rapid Point-of-Care Sensors Detecting Head and Neck Cancer and Infections
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Label-Free SERS and MD Analysis of Biomarkers for Rapid Point-of-Care Sensors Detecting Head and Neck Cancer and Infections

Farnesi, Edoardo ; Rinaldi, Silvia ; Liu, Chen ; Ballmaier, Jonas ; Guntinas-Lichius, Orlando ; Schmitt, Michael ; Cialla-May, Dana ; Popp, Juergen

Sensors (Basel, Switzerland), 2023-11, Vol.23 (21), p.8915 [Periódico revisado por pares]

Basel: MDPI AG

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8
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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9
Estimating the potato farming efficiency: A comparative study between stochastic frontier analysis and data envelopment analysis
Estimating the potato farming efficiency: A comparative study between stochastic frontier analysis and data envelopment analysis
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Estimating the potato farming efficiency: A comparative study between stochastic frontier analysis and data envelopment analysis

Shamima Sultana ; Md. Moyazzem Hossain ; Md. Nurul Haque

PloS one, 2023-01, Vol.18 (4) [Periódico revisado por pares]

Public Library of Science (PLoS)

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10
Reconciling solvent effects on rotamer populations in carbohydrates — A joint MD and NMR analysis
Reconciling solvent effects on rotamer populations in carbohydrates — A joint MD and NMR analysis
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Reconciling solvent effects on rotamer populations in carbohydrates — A joint MD and NMR analysis

Gonzalez-Outeiriño, Jorge ; Kirschner, Karl N ; Thobhani, Smita ; Woods, Robert J

Canadian journal of chemistry, 2006-04, Vol.84 (4), p.569-579 [Periódico revisado por pares]

Ottawa, Canada: NRC Research Press

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