
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:
Molecular docking and molecular dynamics simulation
Sakshi Singh, Qanita Bani Baker, Dev Bukhsh Singh
Elsevier eBooks (2021), pp. 291-304
Closed Access | Times Cited: 69
Sakshi Singh, Qanita Bani Baker, Dev Bukhsh Singh
Elsevier eBooks (2021), pp. 291-304
Closed Access | Times Cited: 69
Showing 1-25 of 69 citing articles:
NHGNN-DTA: a node-adaptive hybrid graph neural network for interpretable drug–target binding affinity prediction
Haohuai He, Guanxing Chen, Calvin Yu‐Chian Chen
Bioinformatics (2023) Vol. 39, Iss. 6
Open Access | Times Cited: 20
Haohuai He, Guanxing Chen, Calvin Yu‐Chian Chen
Bioinformatics (2023) Vol. 39, Iss. 6
Open Access | Times Cited: 20
Spectroscopic (FT-IR, FT-Raman, NMR and UV–visible), ADMET and molecular docking investigation of aztreonam as anti-tuberculosis agent
Nandini Mani, S. Suresh, M. Govindammal, et al.
Chemical Physics Impact (2023) Vol. 7, pp. 100254-100254
Open Access | Times Cited: 20
Nandini Mani, S. Suresh, M. Govindammal, et al.
Chemical Physics Impact (2023) Vol. 7, pp. 100254-100254
Open Access | Times Cited: 20
Curcumin-Incorporated Biomaterials: In silico and in vitro evaluation of biological potentials
Nasim Azari Torbat, Iman Akbarzadeh, Niloufar Rezaei, et al.
Coordination Chemistry Reviews (2023) Vol. 492, pp. 215233-215233
Closed Access | Times Cited: 19
Nasim Azari Torbat, Iman Akbarzadeh, Niloufar Rezaei, et al.
Coordination Chemistry Reviews (2023) Vol. 492, pp. 215233-215233
Closed Access | Times Cited: 19
Exploring Recent Updates on Molecular Docking: Types, Method, Application, Limitation & Future Prospects
Mahendra Kumar Sahu, Amit Kumar Nayak, Bisrat Hailemeskel, et al.
International Journal Of Pharmaceutical Research And Allied Sciences (2024) Vol. 13, Iss. 2, pp. 24-40
Closed Access | Times Cited: 6
Mahendra Kumar Sahu, Amit Kumar Nayak, Bisrat Hailemeskel, et al.
International Journal Of Pharmaceutical Research And Allied Sciences (2024) Vol. 13, Iss. 2, pp. 24-40
Closed Access | Times Cited: 6
Targeting PDE4A for therapeutic potential: exploiting drug repurposing approach through virtual screening and molecular dynamics
Anas Shamsi, Mohd Shahnawaz Khan, Nojood Altwaijry, et al.
Journal of Biomolecular Structure and Dynamics (2024), pp. 1-13
Closed Access | Times Cited: 5
Anas Shamsi, Mohd Shahnawaz Khan, Nojood Altwaijry, et al.
Journal of Biomolecular Structure and Dynamics (2024), pp. 1-13
Closed Access | Times Cited: 5
Quercetin suppresses ROS production and migration by specifically targeting Rac1 activation in gliomas
Rafia A. Baba, Hilal Ahmad Mir, Taseem A. Mokhdomi, et al.
Frontiers in Pharmacology (2024) Vol. 15
Open Access | Times Cited: 5
Rafia A. Baba, Hilal Ahmad Mir, Taseem A. Mokhdomi, et al.
Frontiers in Pharmacology (2024) Vol. 15
Open Access | Times Cited: 5
Redirecting pantoprazole as a metallo-beta-lactamase inhibitor in carbapenem-resistant Klebsiella pneumoniae
Wesam H. Abdulaal, Nabil A. Alhakamy, Amer H. Asseri, et al.
Frontiers in Pharmacology (2024) Vol. 15
Open Access | Times Cited: 5
Wesam H. Abdulaal, Nabil A. Alhakamy, Amer H. Asseri, et al.
Frontiers in Pharmacology (2024) Vol. 15
Open Access | Times Cited: 5
Nicotine’s impact on platelet function: insights into hemostasis mechanisms
Xiayu Wu, Yong-Jun Liu, Chunping Zou, et al.
Frontiers in Pharmacology (2025) Vol. 15
Open Access
Xiayu Wu, Yong-Jun Liu, Chunping Zou, et al.
Frontiers in Pharmacology (2025) Vol. 15
Open Access
Assessment of Phage‐Displayed Peptides Targeting Cancer Cell Surface Proteins: A Comprehensive Molecular Docking Study
Verónica Quilumba‐Dutan, Clara Carreón‐Álvarez, Víctor Sanabria‐Ayala, et al.
Journal of Peptide Science (2025) Vol. 31, Iss. 3
Open Access
Verónica Quilumba‐Dutan, Clara Carreón‐Álvarez, Víctor Sanabria‐Ayala, et al.
Journal of Peptide Science (2025) Vol. 31, Iss. 3
Open Access
Mechanistic approach in remedy of diabetes through plant bioactive polyphenolic compounds: an insilico study for modern drug discovery
Ishita Biswas, Debanjan Mitra, Pradeep K. Das Mohapatra, et al.
Journal of Proteins and Proteomics (2025)
Closed Access
Ishita Biswas, Debanjan Mitra, Pradeep K. Das Mohapatra, et al.
Journal of Proteins and Proteomics (2025)
Closed Access
Green Synthesis of N,N′-(1,2-phenylene)bis(phthalimide-5-carboxilic acid) and the prediction of its properties: Standard enthalpies of formation and sublimation
F. Martinón Sánchez, Miguel Ángel García-Castro, Maura Cárdenas-García, et al.
(2025)
Closed Access
F. Martinón Sánchez, Miguel Ángel García-Castro, Maura Cárdenas-García, et al.
(2025)
Closed Access
Alzheimer’s Disease Drug Design by Synthesis, Characterization, Enzyme Inhibition, In Silico, SAR Analysis and MM-GBSA Analysis of Schiff Bases Derivatives
Halis Karataş, İlayda Bersu Kul, Meltem Aydin, et al.
Korean Journal of Chemical Engineering (2025)
Open Access
Halis Karataş, İlayda Bersu Kul, Meltem Aydin, et al.
Korean Journal of Chemical Engineering (2025)
Open Access
Exploring MERTK inhibitor binding mechanisms: insights from adaptive steered molecular dynamics and free energy calculation
Yanmin Zhang, Yi Hua, Lingxi Gu, et al.
Journal of Biomolecular Structure and Dynamics (2025), pp. 1-16
Closed Access
Yanmin Zhang, Yi Hua, Lingxi Gu, et al.
Journal of Biomolecular Structure and Dynamics (2025), pp. 1-16
Closed Access
SARS-CoV2 billion-compound docking
David Rogers, Rupesh Agarwal, Josh V. Vermaas, et al.
Scientific Data (2023) Vol. 10, Iss. 1
Open Access | Times Cited: 14
David Rogers, Rupesh Agarwal, Josh V. Vermaas, et al.
Scientific Data (2023) Vol. 10, Iss. 1
Open Access | Times Cited: 14
Investigation on the molecular interaction between dietary flavone luteolin and alpha-2-macroglobulin using multi-spectroscopic, calorimetric and molecular dynamics simulation techniques
Sana Ansari, Amin Arif, Mohammad Khalid Zia, et al.
Journal of Molecular Liquids (2024) Vol. 398, pp. 124198-124198
Closed Access | Times Cited: 4
Sana Ansari, Amin Arif, Mohammad Khalid Zia, et al.
Journal of Molecular Liquids (2024) Vol. 398, pp. 124198-124198
Closed Access | Times Cited: 4
A comprehensive insight into the effects of caffeic acid (CA) on pepsin: Multi-spectroscopy and MD simulations methods
Fatemeh Hashemi-Shahraki, Behzad Shareghi, Sadegh Farhadian, et al.
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy (2022) Vol. 289, pp. 122240-122240
Closed Access | Times Cited: 19
Fatemeh Hashemi-Shahraki, Behzad Shareghi, Sadegh Farhadian, et al.
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy (2022) Vol. 289, pp. 122240-122240
Closed Access | Times Cited: 19
The role of S477N mutation in the molecular behavior of SARS‐CoV‐2 spike protein: An in‐silico perspective
Mozhgan Mondeali, Ali Etemadi, Khabat Barkhordari, et al.
Journal of Cellular Biochemistry (2023) Vol. 124, Iss. 2, pp. 308-319
Closed Access | Times Cited: 10
Mozhgan Mondeali, Ali Etemadi, Khabat Barkhordari, et al.
Journal of Cellular Biochemistry (2023) Vol. 124, Iss. 2, pp. 308-319
Closed Access | Times Cited: 10
Identification of new potent NLRP3 inhibitors by multi-level in-silico approaches
Chandni Hayat, Vetriselvan Subramaniyan, Mubarak A. Alamri, et al.
BMC Chemistry (2024) Vol. 18, Iss. 1
Open Access | Times Cited: 3
Chandni Hayat, Vetriselvan Subramaniyan, Mubarak A. Alamri, et al.
BMC Chemistry (2024) Vol. 18, Iss. 1
Open Access | Times Cited: 3
Navigating the Computational Seas: A Comprehensive Overview of Molecular Docking Software in Drug Discovery
Mohd Mursal, Mohammad Nazir Ahmad, Sahil Hussain, et al.
Biomedical engineering (2024)
Closed Access | Times Cited: 3
Mohd Mursal, Mohammad Nazir Ahmad, Sahil Hussain, et al.
Biomedical engineering (2024)
Closed Access | Times Cited: 3
Structure-based screening of FDA-approved drugs identifies potential histone deacetylase 3 repurposed inhibitor: molecular docking and molecular dynamic simulation approaches
Anas Shamsi, Mohd Shahnawaz Khan, Dharmendra Kumar Yadav, et al.
Frontiers in Pharmacology (2024) Vol. 15
Open Access | Times Cited: 3
Anas Shamsi, Mohd Shahnawaz Khan, Dharmendra Kumar Yadav, et al.
Frontiers in Pharmacology (2024) Vol. 15
Open Access | Times Cited: 3
Identification of novel drug targets and screening potential drugs against Cryptococcus gattii: An in silico approach
Tanjin Barketullah Robin, Nurul Amin Rani, Nadim Ahmed, et al.
Informatics in Medicine Unlocked (2023) Vol. 38, pp. 101222-101222
Open Access | Times Cited: 9
Tanjin Barketullah Robin, Nurul Amin Rani, Nadim Ahmed, et al.
Informatics in Medicine Unlocked (2023) Vol. 38, pp. 101222-101222
Open Access | Times Cited: 9
Potential molecular mechanism of reuterin on the inhibition of Aspergillus flavus conidial germination: An in silico study
Widiati Purnawita, Winiati Pudji Rahayu, Hanifah Nuryani Lioe, et al.
Journal of Food Science (2024) Vol. 89, Iss. 2, pp. 1167-1186
Closed Access | Times Cited: 2
Widiati Purnawita, Winiati Pudji Rahayu, Hanifah Nuryani Lioe, et al.
Journal of Food Science (2024) Vol. 89, Iss. 2, pp. 1167-1186
Closed Access | Times Cited: 2
Lubricin‐Inspired Nanozymes Reconstruct Cartilage Lubrication System with an “In‐Out” Strategy
Chengcheng Du, Zhuolin Chen, Senrui Liu, et al.
Small Methods (2024)
Closed Access | Times Cited: 2
Chengcheng Du, Zhuolin Chen, Senrui Liu, et al.
Small Methods (2024)
Closed Access | Times Cited: 2
Research on Bitter Peptides in the Field of Bioinformatics: A Comprehensive Review
Shanghua Liu, Tianyu Shi, Junwen Yu, et al.
International Journal of Molecular Sciences (2024) Vol. 25, Iss. 18, pp. 9844-9844
Open Access | Times Cited: 2
Shanghua Liu, Tianyu Shi, Junwen Yu, et al.
International Journal of Molecular Sciences (2024) Vol. 25, Iss. 18, pp. 9844-9844
Open Access | Times Cited: 2
A review of the current trends in computational approaches in drug design and metabolism
Russell B. O. Ouma, Silas M. Ngari, Joshua K. Kibet
Deleted Journal (2024) Vol. 21, Iss. 1
Open Access | Times Cited: 2
Russell B. O. Ouma, Silas M. Ngari, Joshua K. Kibet
Deleted Journal (2024) Vol. 21, Iss. 1
Open Access | Times Cited: 2