PLAIG: Protein–Ligand Binding Affinity Prediction Using a Novel Interaction-Based Graph Neural Network Framework
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2025-04-01
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| Series: | ACS Bio & Med Chem Au |
| Online Access: | https://doi.org/10.1021/acsbiomedchemau.5c00053 |
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| _version_ | 1850118680174657536 |
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| author | Madhav V. Samudrala Somanath Dandibhotla Arjun Kaneriya Sivanesan Dakshanamurthy |
| author_facet | Madhav V. Samudrala Somanath Dandibhotla Arjun Kaneriya Sivanesan Dakshanamurthy |
| author_sort | Madhav V. Samudrala |
| collection | DOAJ |
| format | Article |
| id | doaj-art-8d33160edadc4cc89d8b0a90dc0f991b |
| institution | OA Journals |
| issn | 2694-2437 |
| language | English |
| publishDate | 2025-04-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | ACS Bio & Med Chem Au |
| spelling | doaj-art-8d33160edadc4cc89d8b0a90dc0f991b2025-08-20T02:35:49ZengAmerican Chemical SocietyACS Bio & Med Chem Au2694-24372025-04-015344746310.1021/acsbiomedchemau.5c00053PLAIG: Protein–Ligand Binding Affinity Prediction Using a Novel Interaction-Based Graph Neural Network FrameworkMadhav V. Samudrala0Somanath Dandibhotla1Arjun Kaneriya2Sivanesan Dakshanamurthy3College of Arts and Sciences, The University of Virginia, Charlottesville, Virginia, United StatesCollege of Engineering and Computing, George Mason University, Fairfax, Virginia, United StatesCollege of William and Mary, William and Mary, Williamsburg, Virginia, United StatesDepartment of Oncology, Lombardi Comprehensive Cancer Center, Georgetown University Medical Center, Washington, District of Columbia, United Stateshttps://doi.org/10.1021/acsbiomedchemau.5c00053 |
| spellingShingle | Madhav V. Samudrala Somanath Dandibhotla Arjun Kaneriya Sivanesan Dakshanamurthy PLAIG: Protein–Ligand Binding Affinity Prediction Using a Novel Interaction-Based Graph Neural Network Framework ACS Bio & Med Chem Au |
| title | PLAIG: Protein–Ligand Binding Affinity Prediction Using a Novel Interaction-Based Graph Neural Network Framework |
| title_full | PLAIG: Protein–Ligand Binding Affinity Prediction Using a Novel Interaction-Based Graph Neural Network Framework |
| title_fullStr | PLAIG: Protein–Ligand Binding Affinity Prediction Using a Novel Interaction-Based Graph Neural Network Framework |
| title_full_unstemmed | PLAIG: Protein–Ligand Binding Affinity Prediction Using a Novel Interaction-Based Graph Neural Network Framework |
| title_short | PLAIG: Protein–Ligand Binding Affinity Prediction Using a Novel Interaction-Based Graph Neural Network Framework |
| title_sort | plaig protein ligand binding affinity prediction using a novel interaction based graph neural network framework |
| url | https://doi.org/10.1021/acsbiomedchemau.5c00053 |
| work_keys_str_mv | AT madhavvsamudrala plaigproteinligandbindingaffinitypredictionusinganovelinteractionbasedgraphneuralnetworkframework AT somanathdandibhotla plaigproteinligandbindingaffinitypredictionusinganovelinteractionbasedgraphneuralnetworkframework AT arjunkaneriya plaigproteinligandbindingaffinitypredictionusinganovelinteractionbasedgraphneuralnetworkframework AT sivanesandakshanamurthy plaigproteinligandbindingaffinitypredictionusinganovelinteractionbasedgraphneuralnetworkframework |