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Journal of Chemical Information and Modeling
|
May 9, 2025
Integrating Machine Learning-Based Pose Sampling with Established Scoring Functions for Virtual Screening
Thi Ngoc Lan Vu, Hosein Fooladi, Johannes Kirchmair
Journal of Chemical Information and Modeling
|
September 15, 2025
Evaluating Machine Learning Models for Molecular Property Prediction: Performance and Robustness on Out-of-Distribution Data
Hosein Fooladi, Thi Ngoc Lan Vu, Miriam Mathea, et al.
Biochemical Society Transactions
|
January 25, 2022
Big data and artificial intelligence (AI) methodologies for computer-aided drug design (CADD)
Jai Woo Lee, Miguel A Maria-Solano, Thi Ngoc Lan Vu, et al.
International Journal of Molecular Sciences
|
April 3, 2021
Structural Characterization of Receptor-Receptor Interactions in the Allosteric Modulation of G Protein-Coupled Receptor (GPCR) Dimers
Raudah Lazim, Donghyuk Suh, Jai Woo Lee, et al.
Journal of Medicinal Chemistry
|
July 7, 2022
Discovery of (<i>E</i>)-3-(3-((2-Cyano-4'-dimethylaminobiphenyl-4-ylmethyl)cyclohexanecarbonylamino)-5-fluorophenyl)acrylic Acid Methyl Ester, an Intestine-Specific, FXR Partial Agonist for the Treatment of Nonalcoholic Steatohepatitis
Soyeon Shim, Maddeboina Krishnaiah, Madhusudana Reddy Sankham, et al.
Journal of Medicinal Chemistry
|
March 27, 2023
Structure-Activity Relationships of Truncated 1'-Homologated Carbaadenosine Derivatives as New PPARγ/δ Ligands: A Study on Sugar Puckering Affecting Binding to PPARs
Young Eum Hyun, Seungchan An, Minjae Kim, et al.
Bioorganic & Medicinal Chemistry Letters
|
July 17, 2021
2-(Halogenated Phenyl) acetamides and propanamides as potent TRPV1 antagonists
Jin Mi Kang, Sun Ok Kwon, Jihyae Ann, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
May 9, 2025
Integrating Machine Learning-Based Pose Sampling with Established Scoring Functions for Virtual Screening
Thi Ngoc Lan Vu, Hosein Fooladi, Johannes Kirchmair
Journal of Chemical Information and Modeling
|
September 15, 2025
Evaluating Machine Learning Models for Molecular Property Prediction: Performance and Robustness on Out-of-Distribution Data
Hosein Fooladi, Thi Ngoc Lan Vu, Miriam Mathea, et al.
Biochemical Society Transactions
|
January 25, 2022
Big data and artificial intelligence (AI) methodologies for computer-aided drug design (CADD)
Jai Woo Lee, Miguel A Maria-Solano, Thi Ngoc Lan Vu, et al.
International Journal of Molecular Sciences
|
April 3, 2021
Structural Characterization of Receptor-Receptor Interactions in the Allosteric Modulation of G Protein-Coupled Receptor (GPCR) Dimers
Raudah Lazim, Donghyuk Suh, Jai Woo Lee, et al.
Journal of Medicinal Chemistry
|
July 7, 2022
Discovery of (<i>E</i>)-3-(3-((2-Cyano-4'-dimethylaminobiphenyl-4-ylmethyl)cyclohexanecarbonylamino)-5-fluorophenyl)acrylic Acid Methyl Ester, an Intestine-Specific, FXR Partial Agonist for the Treatment of Nonalcoholic Steatohepatitis
Soyeon Shim, Maddeboina Krishnaiah, Madhusudana Reddy Sankham, et al.
Journal of Medicinal Chemistry
|
March 27, 2023
Structure-Activity Relationships of Truncated 1'-Homologated Carbaadenosine Derivatives as New PPARγ/δ Ligands: A Study on Sugar Puckering Affecting Binding to PPARs
Young Eum Hyun, Seungchan An, Minjae Kim, et al.
Bioorganic & Medicinal Chemistry Letters
|
July 17, 2021
2-(Halogenated Phenyl) acetamides and propanamides as potent TRPV1 antagonists
Jin Mi Kang, Sun Ok Kwon, Jihyae Ann, et al.
Page
of 1