
OpenAlex is a bibliographic catalogue of scientific papers, authors and institutions accessible in open access mode, named after the Library of Alexandria. It's citation coverage is excellent and I hope you will find utility in this listing of citing articles!
If you click the article title, you'll navigate to the article, as listed in CrossRef. If you click the Open Access links, you'll navigate to the "best Open Access location". Clicking the citation count will open this listing for that article. Lastly at the bottom of the page, you'll find basic pagination options.
Requested Article:
Machine‐learning scoring functions for structure‐based drug lead optimization
Hongjian Li, Kam‐Heung Sze, Gang Lü, et al.
Wiley Interdisciplinary Reviews Computational Molecular Science (2020) Vol. 10, Iss. 5
Open Access | Times Cited: 129
Hongjian Li, Kam‐Heung Sze, Gang Lü, et al.
Wiley Interdisciplinary Reviews Computational Molecular Science (2020) Vol. 10, Iss. 5
Open Access | Times Cited: 129
Showing 1-25 of 129 citing articles:
Use of molecular docking computational tools in drug discovery
Francesca Stanzione, Ilenia Giangreco, Jason C. Cole
Progress in medicinal chemistry (2021), pp. 273-343
Closed Access | Times Cited: 377
Francesca Stanzione, Ilenia Giangreco, Jason C. Cole
Progress in medicinal chemistry (2021), pp. 273-343
Closed Access | Times Cited: 377
Machine-learning methods for ligand–protein molecular docking
Kévin Crampon, Alexis Giorkallos, Myrtille Deldossi, et al.
Drug Discovery Today (2021) Vol. 27, Iss. 1, pp. 151-164
Open Access | Times Cited: 215
Kévin Crampon, Alexis Giorkallos, Myrtille Deldossi, et al.
Drug Discovery Today (2021) Vol. 27, Iss. 1, pp. 151-164
Open Access | Times Cited: 215
Three-Dimensional Convolutional Neural Networks and a Cross-Docked Data Set for Structure-Based Drug Design
Paul Francoeur, Tomohide Masuda, Jocelyn Sunseri, et al.
Journal of Chemical Information and Modeling (2020) Vol. 60, Iss. 9, pp. 4200-4215
Open Access | Times Cited: 204
Paul Francoeur, Tomohide Masuda, Jocelyn Sunseri, et al.
Journal of Chemical Information and Modeling (2020) Vol. 60, Iss. 9, pp. 4200-4215
Open Access | Times Cited: 204
Deep Learning in Virtual Screening: Recent Applications and Developments
Talia B. Kimber, Yonghui Chen, Andrea Volkamer
International Journal of Molecular Sciences (2021) Vol. 22, Iss. 9, pp. 4435-4435
Open Access | Times Cited: 159
Talia B. Kimber, Yonghui Chen, Andrea Volkamer
International Journal of Molecular Sciences (2021) Vol. 22, Iss. 9, pp. 4435-4435
Open Access | Times Cited: 159
Accelerating antibiotic discovery through artificial intelligence
Marcelo C. R. Melo, Jacqueline R. M. A. Maasch, César de la Fuente‐Núñez
Communications Biology (2021) Vol. 4, Iss. 1
Open Access | Times Cited: 149
Marcelo C. R. Melo, Jacqueline R. M. A. Maasch, César de la Fuente‐Núñez
Communications Biology (2021) Vol. 4, Iss. 1
Open Access | Times Cited: 149
Machine‐learning scoring functions for structure‐based virtual screening
Hongjian Li, Kam‐Heung Sze, Gang Lü, et al.
Wiley Interdisciplinary Reviews Computational Molecular Science (2020) Vol. 11, Iss. 1
Closed Access | Times Cited: 142
Hongjian Li, Kam‐Heung Sze, Gang Lü, et al.
Wiley Interdisciplinary Reviews Computational Molecular Science (2020) Vol. 11, Iss. 1
Closed Access | Times Cited: 142
Algebraic graph-assisted bidirectional transformers for molecular property prediction
Dong Chen, Kaifu Gao, Duc Duy Nguyen, et al.
Nature Communications (2021) Vol. 12, Iss. 1
Open Access | Times Cited: 126
Dong Chen, Kaifu Gao, Duc Duy Nguyen, et al.
Nature Communications (2021) Vol. 12, Iss. 1
Open Access | Times Cited: 126
Boosting Protein–Ligand Binding Pose Prediction and Virtual Screening Based on Residue–Atom Distance Likelihood Potential and Graph Transformer
Chao Shen, Xujun Zhang, Yafeng Deng, et al.
Journal of Medicinal Chemistry (2022) Vol. 65, Iss. 15, pp. 10691-10706
Closed Access | Times Cited: 112
Chao Shen, Xujun Zhang, Yafeng Deng, et al.
Journal of Medicinal Chemistry (2022) Vol. 65, Iss. 15, pp. 10691-10706
Closed Access | Times Cited: 112
Protein–Ligand Docking in the Machine-Learning Era
Chao Yang, Eric Anthony Chen, Yingkai Zhang
Molecules (2022) Vol. 27, Iss. 14, pp. 4568-4568
Open Access | Times Cited: 83
Chao Yang, Eric Anthony Chen, Yingkai Zhang
Molecules (2022) Vol. 27, Iss. 14, pp. 4568-4568
Open Access | Times Cited: 83
Structure-based drug repurposing: Traditional and advanced AI/ML-aided methods
Chinmayee Choudhury, N. Arul Murugan, U. Deva Priyakumar
Drug Discovery Today (2022) Vol. 27, Iss. 7, pp. 1847-1861
Open Access | Times Cited: 79
Chinmayee Choudhury, N. Arul Murugan, U. Deva Priyakumar
Drug Discovery Today (2022) Vol. 27, Iss. 7, pp. 1847-1861
Open Access | Times Cited: 79
Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review
Rocco Meli, Garrett M. Morris, Philip C. Biggin
Frontiers in Bioinformatics (2022) Vol. 2
Open Access | Times Cited: 76
Rocco Meli, Garrett M. Morris, Philip C. Biggin
Frontiers in Bioinformatics (2022) Vol. 2
Open Access | Times Cited: 76
Artificial intelligence in virtual screening: Models versus experiments
N. Arul Murugan, Gnana Ruba Priya, G. Narahari Sastry, et al.
Drug Discovery Today (2022) Vol. 27, Iss. 7, pp. 1913-1923
Closed Access | Times Cited: 70
N. Arul Murugan, Gnana Ruba Priya, G. Narahari Sastry, et al.
Drug Discovery Today (2022) Vol. 27, Iss. 7, pp. 1913-1923
Closed Access | Times Cited: 70
Machine Learning for Sequence and Structure-Based Protein–Ligand Interaction Prediction
Yunjiang Zhang, Shuyuan Li, Kong Meng, et al.
Journal of Chemical Information and Modeling (2024) Vol. 64, Iss. 5, pp. 1456-1472
Closed Access | Times Cited: 18
Yunjiang Zhang, Shuyuan Li, Kong Meng, et al.
Journal of Chemical Information and Modeling (2024) Vol. 64, Iss. 5, pp. 1456-1472
Closed Access | Times Cited: 18
Convergent Protocols for Computing Protein–Ligand Interaction Energies Using Fragment-Based Quantum Chemistry
Paige E. Bowling, Dustin R. Broderick, John M. Herbert
Journal of Chemical Theory and Computation (2025)
Closed Access | Times Cited: 4
Paige E. Bowling, Dustin R. Broderick, John M. Herbert
Journal of Chemical Theory and Computation (2025)
Closed Access | Times Cited: 4
Repositioning of 8565 Existing Drugs for COVID-19
Kaifu Gao, Duc Duy Nguyen, Jiahui Chen, et al.
The Journal of Physical Chemistry Letters (2020) Vol. 11, Iss. 13, pp. 5373-5382
Open Access | Times Cited: 102
Kaifu Gao, Duc Duy Nguyen, Jiahui Chen, et al.
The Journal of Physical Chemistry Letters (2020) Vol. 11, Iss. 13, pp. 5373-5382
Open Access | Times Cited: 102
AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks
Yongbeom Kwon, Woong‐Hee Shin, Junsu Ko, et al.
International Journal of Molecular Sciences (2020) Vol. 21, Iss. 22, pp. 8424-8424
Open Access | Times Cited: 90
Yongbeom Kwon, Woong‐Hee Shin, Junsu Ko, et al.
International Journal of Molecular Sciences (2020) Vol. 21, Iss. 22, pp. 8424-8424
Open Access | Times Cited: 90
Machine learning in drug design: Use of artificial intelligence to explore the chemical structure–biological activity relationship
Maciej Staszak, Katarzyna Staszak, Karolina Wieszczycka, et al.
Wiley Interdisciplinary Reviews Computational Molecular Science (2021) Vol. 12, Iss. 2
Open Access | Times Cited: 89
Maciej Staszak, Katarzyna Staszak, Karolina Wieszczycka, et al.
Wiley Interdisciplinary Reviews Computational Molecular Science (2021) Vol. 12, Iss. 2
Open Access | Times Cited: 89
Extended connectivity interaction features: improving binding affinity prediction through chemical description
Norberto Sánchez‐Cruz, José L. Medina‐Franco, Jordi Mestres, et al.
Bioinformatics (2020) Vol. 37, Iss. 10, pp. 1376-1382
Closed Access | Times Cited: 88
Norberto Sánchez‐Cruz, José L. Medina‐Franco, Jordi Mestres, et al.
Bioinformatics (2020) Vol. 37, Iss. 10, pp. 1376-1382
Closed Access | Times Cited: 88
Molecular docking and molecular dynamics simulation
Sakshi Singh, Qanita Bani Baker, Dev Bukhsh Singh
Elsevier eBooks (2021), pp. 291-304
Closed Access | Times Cited: 74
Sakshi Singh, Qanita Bani Baker, Dev Bukhsh Singh
Elsevier eBooks (2021), pp. 291-304
Closed Access | Times Cited: 74
Unveiling the molecular mechanism of SARS-CoV-2 main protease inhibition from 137 crystal structures using algebraic topology and deep learning
Duc Duy Nguyen, Kaifu Gao, Jiahui Chen, et al.
Chemical Science (2020) Vol. 11, Iss. 44, pp. 12036-12046
Open Access | Times Cited: 72
Duc Duy Nguyen, Kaifu Gao, Jiahui Chen, et al.
Chemical Science (2020) Vol. 11, Iss. 44, pp. 12036-12046
Open Access | Times Cited: 72
A Review on Parallel Virtual Screening Softwares for High-Performance Computers
N. Arul Murugan, Artur Podobas, Davide Gadioli, et al.
Pharmaceuticals (2022) Vol. 15, Iss. 1, pp. 63-63
Open Access | Times Cited: 49
N. Arul Murugan, Artur Podobas, Davide Gadioli, et al.
Pharmaceuticals (2022) Vol. 15, Iss. 1, pp. 63-63
Open Access | Times Cited: 49
Delta Machine Learning to Improve Scoring-Ranking-Screening Performances of Protein–Ligand Scoring Functions
Chao Yang, Yingkai Zhang
Journal of Chemical Information and Modeling (2022) Vol. 62, Iss. 11, pp. 2696-2712
Open Access | Times Cited: 47
Chao Yang, Yingkai Zhang
Journal of Chemical Information and Modeling (2022) Vol. 62, Iss. 11, pp. 2696-2712
Open Access | Times Cited: 47
A fully differentiable ligand pose optimization framework guided by deep learning and a traditional scoring function
Zechen Wang, Liangzhen Zheng, Sheng Wang, et al.
Briefings in Bioinformatics (2022) Vol. 24, Iss. 1
Open Access | Times Cited: 39
Zechen Wang, Liangzhen Zheng, Sheng Wang, et al.
Briefings in Bioinformatics (2022) Vol. 24, Iss. 1
Open Access | Times Cited: 39
A practical guide to machine-learning scoring for structure-based virtual screening
Viet‐Khoa Tran‐Nguyen, Muhammad Junaid, Saw Simeon, et al.
Nature Protocols (2023) Vol. 18, Iss. 11, pp. 3460-3511
Closed Access | Times Cited: 38
Viet‐Khoa Tran‐Nguyen, Muhammad Junaid, Saw Simeon, et al.
Nature Protocols (2023) Vol. 18, Iss. 11, pp. 3460-3511
Closed Access | Times Cited: 38
Observations into the reactivity, docking, DFT, and MD simulations of fludarabine and clofarabine in various solvents
G. Venkatesh, Sheik Haseena, Jamelah S. Al‐Otaibi, et al.
Journal of Molecular Liquids (2023) Vol. 383, pp. 122076-122076
Closed Access | Times Cited: 34
G. Venkatesh, Sheik Haseena, Jamelah S. Al‐Otaibi, et al.
Journal of Molecular Liquids (2023) Vol. 383, pp. 122076-122076
Closed Access | Times Cited: 34