Molecular Dynamics as a Tool for Virtual Ligand Screening
Methods Mol Biol. 2024;2714:33-83. doi: 10.1007/978-1-0716-3441-7_3.ABSTRACTRational drug design is essential for new drugs to emerge, especially when the structure of a target protein or nucleic acid is known. To that purpose, high-throughput virtual ligand screening campaigns aim at discovering computationally new binding molecules or fragments to modulate particular biomolecular interactions or biological activities, related to a disease process. The structure-based virtual ligand screening process primarily relies on docking methods which allow predicting the binding of a molecule to a biological target structure with ...
Source: Methods of Information in Medicine - September 7, 2023 Category: Information Technology Authors: Gr égory Menchon Laurent Maveyraud Georges Czaplicki Source Type: research
Molecular Dynamics as a Tool for Virtual Ligand Screening
Methods Mol Biol. 2024;2714:33-83. doi: 10.1007/978-1-0716-3441-7_3.ABSTRACTRational drug design is essential for new drugs to emerge, especially when the structure of a target protein or nucleic acid is known. To that purpose, high-throughput virtual ligand screening campaigns aim at discovering computationally new binding molecules or fragments to modulate particular biomolecular interactions or biological activities, related to a disease process. The structure-based virtual ligand screening process primarily relies on docking methods which allow predicting the binding of a molecule to a biological target structure with ...
Source: Methods of Information in Medicine - September 7, 2023 Category: Information Technology Authors: Gr égory Menchon Laurent Maveyraud Georges Czaplicki Source Type: research
Molecular Dynamics as a Tool for Virtual Ligand Screening
Methods Mol Biol. 2024;2714:33-83. doi: 10.1007/978-1-0716-3441-7_3.ABSTRACTRational drug design is essential for new drugs to emerge, especially when the structure of a target protein or nucleic acid is known. To that purpose, high-throughput virtual ligand screening campaigns aim at discovering computationally new binding molecules or fragments to modulate particular biomolecular interactions or biological activities, related to a disease process. The structure-based virtual ligand screening process primarily relies on docking methods which allow predicting the binding of a molecule to a biological target structure with ...
Source: Methods of Information in Medicine - September 7, 2023 Category: Information Technology Authors: Gr égory Menchon Laurent Maveyraud Georges Czaplicki Source Type: research
Molecular Dynamics as a Tool for Virtual Ligand Screening
Methods Mol Biol. 2024;2714:33-83. doi: 10.1007/978-1-0716-3441-7_3.ABSTRACTRational drug design is essential for new drugs to emerge, especially when the structure of a target protein or nucleic acid is known. To that purpose, high-throughput virtual ligand screening campaigns aim at discovering computationally new binding molecules or fragments to modulate particular biomolecular interactions or biological activities, related to a disease process. The structure-based virtual ligand screening process primarily relies on docking methods which allow predicting the binding of a molecule to a biological target structure with ...
Source: Methods of Information in Medicine - September 7, 2023 Category: Information Technology Authors: Gr égory Menchon Laurent Maveyraud Georges Czaplicki Source Type: research
Molecular Dynamics as a Tool for Virtual Ligand Screening
Methods Mol Biol. 2024;2714:33-83. doi: 10.1007/978-1-0716-3441-7_3.ABSTRACTRational drug design is essential for new drugs to emerge, especially when the structure of a target protein or nucleic acid is known. To that purpose, high-throughput virtual ligand screening campaigns aim at discovering computationally new binding molecules or fragments to modulate particular biomolecular interactions or biological activities, related to a disease process. The structure-based virtual ligand screening process primarily relies on docking methods which allow predicting the binding of a molecule to a biological target structure with ...
Source: Methods of Information in Medicine - September 7, 2023 Category: Information Technology Authors: Gr égory Menchon Laurent Maveyraud Georges Czaplicki Source Type: research
Molecular Dynamics as a Tool for Virtual Ligand Screening
Methods Mol Biol. 2024;2714:33-83. doi: 10.1007/978-1-0716-3441-7_3.ABSTRACTRational drug design is essential for new drugs to emerge, especially when the structure of a target protein or nucleic acid is known. To that purpose, high-throughput virtual ligand screening campaigns aim at discovering computationally new binding molecules or fragments to modulate particular biomolecular interactions or biological activities, related to a disease process. The structure-based virtual ligand screening process primarily relies on docking methods which allow predicting the binding of a molecule to a biological target structure with ...
Source: Methods of Information in Medicine - September 7, 2023 Category: Information Technology Authors: Gr égory Menchon Laurent Maveyraud Georges Czaplicki Source Type: research
Molecular Dynamics as a Tool for Virtual Ligand Screening
Methods Mol Biol. 2024;2714:33-83. doi: 10.1007/978-1-0716-3441-7_3.ABSTRACTRational drug design is essential for new drugs to emerge, especially when the structure of a target protein or nucleic acid is known. To that purpose, high-throughput virtual ligand screening campaigns aim at discovering computationally new binding molecules or fragments to modulate particular biomolecular interactions or biological activities, related to a disease process. The structure-based virtual ligand screening process primarily relies on docking methods which allow predicting the binding of a molecule to a biological target structure with ...
Source: Methods of Information in Medicine - September 7, 2023 Category: Information Technology Authors: Gr égory Menchon Laurent Maveyraud Georges Czaplicki Source Type: research
Performance Characteristics of a Rule-Based Electronic Health Record Algorithm to Identify Patients with Gross and Microscopic Hematuria
CONCLUSIONS: We developed an algorithm utilizing diagnosis codes and urine laboratory values to accurately identify hematuria and categorize as gross or microscopic in EHRs. Applying the algorithm will help researchers to understand patterns of care for this common condition.PMID:37666279 | DOI:10.1055/a-2165-5552 (Source: Methods of Information in Medicine)
Source: Methods of Information in Medicine - September 4, 2023 Category: Information Technology Authors: Jasmine I Kashkoush Mudit Gupta Matthew A Meissner Matthew E Nielsen H Lester Kirchner Tullika Garg Source Type: research
A therapeutic dose and its pharmacokinetics of ropeginterferon Alfa-2b for hepatitis C treatment
CONCLUSION: Ropeginterferon alfa-2b at 400 μg led to PK exposures associated with safety and notable clinical activity in patients with chronic HCV. This study suggests that ropeginterferon alfa-2b at 400 μg is an acceptable dosing regimen for treating chronic HCV and also provides supporting data for the clinical use of ropeginterferon alfa-2b at a higher starting dose for other indications.PMID:37666718 | DOI:10.1016/j.jfma.2023.08.023 (Source: Methods of Information in Medicine)
Source: Methods of Information in Medicine - September 4, 2023 Category: Information Technology Authors: Ching-Chu Lo Wan-Long Chuang Hsing-Tao Kuo Wei-Ming Chen Albert Qin Chan-Yen Tsai Yi-Wen Huang Chi-Yi Chen Source Type: research
Performance Characteristics of a Rule-Based Electronic Health Record Algorithm to Identify Patients with Gross and Microscopic Hematuria
CONCLUSIONS: We developed an algorithm utilizing diagnosis codes and urine laboratory values to accurately identify hematuria and categorize as gross or microscopic in EHRs. Applying the algorithm will help researchers to understand patterns of care for this common condition.PMID:37666279 | DOI:10.1055/a-2165-5552 (Source: Methods of Information in Medicine)
Source: Methods of Information in Medicine - September 4, 2023 Category: Information Technology Authors: Jasmine I Kashkoush Mudit Gupta Matthew A Meissner Matthew E Nielsen H Lester Kirchner Tullika Garg Source Type: research
A therapeutic dose and its pharmacokinetics of ropeginterferon Alfa-2b for hepatitis C treatment
CONCLUSION: Ropeginterferon alfa-2b at 400 μg led to PK exposures associated with safety and notable clinical activity in patients with chronic HCV. This study suggests that ropeginterferon alfa-2b at 400 μg is an acceptable dosing regimen for treating chronic HCV and also provides supporting data for the clinical use of ropeginterferon alfa-2b at a higher starting dose for other indications.PMID:37666718 | DOI:10.1016/j.jfma.2023.08.023 (Source: Methods of Information in Medicine)
Source: Methods of Information in Medicine - September 4, 2023 Category: Information Technology Authors: Ching-Chu Lo Wan-Long Chuang Hsing-Tao Kuo Wei-Ming Chen Albert Qin Chan-Yen Tsai Yi-Wen Huang Chi-Yi Chen Source Type: research
Recognition of 7 genes signature (Cirrhosis Risk Score) in the diagnosed non-responders to DAAs therapy by intra-PBMCs nested HCV RNA PCR
CONCLUSION: The current study concluded the association of (a) high CRS values with coarse liver in viral-RNA serologic relapse, (b) low CRS values with normal liver tissues in sustained virologic response (SVR), (c) intermediate CRS values with bright liver in solitary PBMCs relapse.PMID:37646837 | PMC:PMC10468448 | DOI:10.1186/s43141-023-00544-3 (Source: Methods of Information in Medicine)
Source: Methods of Information in Medicine - August 30, 2023 Category: Information Technology Authors: Al-Shazly Gaber Mohamed Galal Reham M Dawood Mostafa K El Awady Yasser Mohamed Mohamed El-Dessouky Mohamed Mahmoud Abdel-Halim Mahmoud Mohamed Darwish Ahmed Abd Alla Source Type: research
Recognition of 7 genes signature (Cirrhosis Risk Score) in the diagnosed non-responders to DAAs therapy by intra-PBMCs nested HCV RNA PCR
CONCLUSION: The current study concluded the association of (a) high CRS values with coarse liver in viral-RNA serologic relapse, (b) low CRS values with normal liver tissues in sustained virologic response (SVR), (c) intermediate CRS values with bright liver in solitary PBMCs relapse.PMID:37646837 | PMC:PMC10468448 | DOI:10.1186/s43141-023-00544-3 (Source: Methods of Information in Medicine)
Source: Methods of Information in Medicine - August 30, 2023 Category: Information Technology Authors: Al-Shazly Gaber Mohamed Galal Reham M Dawood Mostafa K El Awady Yasser Mohamed Mohamed El-Dessouky Mohamed Mahmoud Abdel-Halim Mahmoud Mohamed Darwish Ahmed Abd Alla Source Type: research
Recognition of 7 genes signature (Cirrhosis Risk Score) in the diagnosed non-responders to DAAs therapy by intra-PBMCs nested HCV RNA PCR
CONCLUSION: The current study concluded the association of (a) high CRS values with coarse liver in viral-RNA serologic relapse, (b) low CRS values with normal liver tissues in sustained virologic response (SVR), (c) intermediate CRS values with bright liver in solitary PBMCs relapse.PMID:37646837 | PMC:PMC10468448 | DOI:10.1186/s43141-023-00544-3 (Source: Methods of Information in Medicine)
Source: Methods of Information in Medicine - August 30, 2023 Category: Information Technology Authors: Al-Shazly Gaber Mohamed Galal Reham M Dawood Mostafa K El Awady Yasser Mohamed Mohamed El-Dessouky Mohamed Mahmoud Abdel-Halim Mahmoud Mohamed Darwish Ahmed Abd Alla Source Type: research
Recognition of 7 genes signature (Cirrhosis Risk Score) in the diagnosed non-responders to DAAs therapy by intra-PBMCs nested HCV RNA PCR
CONCLUSION: The current study concluded the association of (a) high CRS values with coarse liver in viral-RNA serologic relapse, (b) low CRS values with normal liver tissues in sustained virologic response (SVR), (c) intermediate CRS values with bright liver in solitary PBMCs relapse.PMID:37646837 | PMC:PMC10468448 | DOI:10.1186/s43141-023-00544-3 (Source: Methods of Information in Medicine)
Source: Methods of Information in Medicine - August 30, 2023 Category: Information Technology Authors: Al-Shazly Gaber Mohamed Galal Reham M Dawood Mostafa K El Awady Yasser Mohamed Mohamed El-Dessouky Mohamed Mahmoud Abdel-Halim Mahmoud Mohamed Darwish Ahmed Abd Alla Source Type: research
