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:
The impact of molecular dynamics on drug design: applications for the characterization of ligand–macromolecule complexes
Jérémie Mortier, Christin Rakers, Marcel Bermúdez, et al.
Drug Discovery Today (2015) Vol. 20, Iss. 6, pp. 686-702
Closed Access | Times Cited: 206
Jérémie Mortier, Christin Rakers, Marcel Bermúdez, et al.
Drug Discovery Today (2015) Vol. 20, Iss. 6, pp. 686-702
Closed Access | Times Cited: 206
Showing 26-50 of 206 citing articles:
Designing stapled peptides to inhibit protein‐protein interactions: An analysis of successes in a rapidly changing field
Marie T. J. Bluntzer, James P. O’Connell, Terry Baker, et al.
Peptide Science (2020) Vol. 113, Iss. 1
Open Access | Times Cited: 43
Marie T. J. Bluntzer, James P. O’Connell, Terry Baker, et al.
Peptide Science (2020) Vol. 113, Iss. 1
Open Access | Times Cited: 43
Integrating molecular modelling methods to advance influenza A virus drug discovery
Hershna Patel, Andreas Kukol
Drug Discovery Today (2020) Vol. 26, Iss. 2, pp. 503-510
Open Access | Times Cited: 40
Hershna Patel, Andreas Kukol
Drug Discovery Today (2020) Vol. 26, Iss. 2, pp. 503-510
Open Access | Times Cited: 40
Identification of 1H-purine-2,6-dione derivative as a potential SARS-CoV-2 main protease inhibitor: molecular docking, dynamic simulations, and energy calculations
Hossam Nada, Ahmed Elkamhawy, Kyeong Lee
PeerJ (2022) Vol. 10, pp. e14120-e14120
Open Access | Times Cited: 25
Hossam Nada, Ahmed Elkamhawy, Kyeong Lee
PeerJ (2022) Vol. 10, pp. e14120-e14120
Open Access | Times Cited: 25
Multi spectroscopy and molecular modeling aspects related to drug interaction of aspirin with alpha chymotrypsin; structural change and protease activity
Seyedeh-Zohreh Vahedi, Sadegh Farhadian, Behzad Shareghi, et al.
Journal of Molecular Liquids (2022) Vol. 352, pp. 118698-118698
Closed Access | Times Cited: 23
Seyedeh-Zohreh Vahedi, Sadegh Farhadian, Behzad Shareghi, et al.
Journal of Molecular Liquids (2022) Vol. 352, pp. 118698-118698
Closed Access | Times Cited: 23
An Updated Review on Developing Small Molecule Kinase Inhibitors Using Computer-Aided Drug Design Approaches
Linwei Li, Song‐Tao Liu, Wang Bi, et al.
International Journal of Molecular Sciences (2023) Vol. 24, Iss. 18, pp. 13953-13953
Open Access | Times Cited: 14
Linwei Li, Song‐Tao Liu, Wang Bi, et al.
International Journal of Molecular Sciences (2023) Vol. 24, Iss. 18, pp. 13953-13953
Open Access | Times Cited: 14
Computational close up on protein–protein interactions: how to unravel the invisible using molecular dynamics simulations?
Christin Rakers, Marcel Bermúdez, Bettina G. Keller, et al.
Wiley Interdisciplinary Reviews Computational Molecular Science (2015) Vol. 5, Iss. 5, pp. 345-359
Closed Access | Times Cited: 49
Christin Rakers, Marcel Bermúdez, Bettina G. Keller, et al.
Wiley Interdisciplinary Reviews Computational Molecular Science (2015) Vol. 5, Iss. 5, pp. 345-359
Closed Access | Times Cited: 49
Expanding the horizons of G protein-coupled receptor structure-based ligand discovery and optimization using homology models
Claudio N. Cavasotto, Damián Palomba
Chemical Communications (2015) Vol. 51, Iss. 71, pp. 13576-13594
Open Access | Times Cited: 46
Claudio N. Cavasotto, Damián Palomba
Chemical Communications (2015) Vol. 51, Iss. 71, pp. 13576-13594
Open Access | Times Cited: 46
More than a look into a crystal ball: protein structure elucidation guided by molecular dynamics simulations
Marcel Bermúdez, Jérémie Mortier, Christin Rakers, et al.
Drug Discovery Today (2016) Vol. 21, Iss. 11, pp. 1799-1805
Closed Access | Times Cited: 46
Marcel Bermúdez, Jérémie Mortier, Christin Rakers, et al.
Drug Discovery Today (2016) Vol. 21, Iss. 11, pp. 1799-1805
Closed Access | Times Cited: 46
Revealing the distinct folding phases of an RNA three-helix junction
Alex Plumridge, Andrea M. Katz, George D. Calvey, et al.
Nucleic Acids Research (2018) Vol. 46, Iss. 14, pp. 7354-7365
Open Access | Times Cited: 45
Alex Plumridge, Andrea M. Katz, George D. Calvey, et al.
Nucleic Acids Research (2018) Vol. 46, Iss. 14, pp. 7354-7365
Open Access | Times Cited: 45
A computational insight into binding modes of inhibitors XD29, XD35, and XD28 to bromodomain-containing protein 4 based on molecular dynamics simulations
Jing Su, Xinguo Liu, Shaolong Zhang, et al.
Journal of Biomolecular Structure and Dynamics (2017) Vol. 36, Iss. 5, pp. 1212-1224
Closed Access | Times Cited: 44
Jing Su, Xinguo Liu, Shaolong Zhang, et al.
Journal of Biomolecular Structure and Dynamics (2017) Vol. 36, Iss. 5, pp. 1212-1224
Closed Access | Times Cited: 44
Statistical Measures to Quantify Similarity between Molecular Dynamics Simulation Trajectories
Jenny Farmer, Fareeha Kanwal, N. Nikulsin, et al.
Entropy (2017) Vol. 19, Iss. 12, pp. 646-646
Open Access | Times Cited: 44
Jenny Farmer, Fareeha Kanwal, N. Nikulsin, et al.
Entropy (2017) Vol. 19, Iss. 12, pp. 646-646
Open Access | Times Cited: 44
Arginase Structure and Inhibition: Catalytic Site Plasticity Reveals New Modulation Possibilities
Jérémie Mortier, Julien R. C. Prévost, Dominique Sydow, et al.
Scientific Reports (2017) Vol. 7, Iss. 1
Open Access | Times Cited: 40
Jérémie Mortier, Julien R. C. Prévost, Dominique Sydow, et al.
Scientific Reports (2017) Vol. 7, Iss. 1
Open Access | Times Cited: 40
Holo-like and Druggable Protein Conformations from Enhanced Sampling of Binding Pocket Volume and Shape
Andrea Basciu, Giuliano Malloci, Fabio Pietrucci, et al.
Journal of Chemical Information and Modeling (2019) Vol. 59, Iss. 4, pp. 1515-1528
Open Access | Times Cited: 40
Andrea Basciu, Giuliano Malloci, Fabio Pietrucci, et al.
Journal of Chemical Information and Modeling (2019) Vol. 59, Iss. 4, pp. 1515-1528
Open Access | Times Cited: 40
Evidence for new enantiospecific interaction force in chiral biomolecules
Yael Kapon, Abhijit Saha, Tal Duanis‐Assaf, et al.
Chem (2021) Vol. 7, Iss. 10, pp. 2787-2799
Open Access | Times Cited: 28
Yael Kapon, Abhijit Saha, Tal Duanis‐Assaf, et al.
Chem (2021) Vol. 7, Iss. 10, pp. 2787-2799
Open Access | Times Cited: 28
A general graph neural network based implicit solvation model for organic molecules in water
Paul Katzberger, Sereina Riniker
Chemical Science (2024) Vol. 15, Iss. 28, pp. 10794-10802
Open Access | Times Cited: 4
Paul Katzberger, Sereina Riniker
Chemical Science (2024) Vol. 15, Iss. 28, pp. 10794-10802
Open Access | Times Cited: 4
Fe(ii ) and 2-oxoglutarate-dependent dioxygenases for natural product synthesis: molecular insights into reaction diversity
Songyin Zhao, Lunjie Wu, Yan Xu, et al.
Natural Product Reports (2024)
Closed Access | Times Cited: 4
Songyin Zhao, Lunjie Wu, Yan Xu, et al.
Natural Product Reports (2024)
Closed Access | Times Cited: 4
Virtual screening: hope, hype, and the fine line in between
Hossam Nada, Nicholas A. Meanwell, Moustafa T. Gabr
Expert Opinion on Drug Discovery (2025)
Closed Access
Hossam Nada, Nicholas A. Meanwell, Moustafa T. Gabr
Expert Opinion on Drug Discovery (2025)
Closed Access
OpenMMDL - Simplifying the Complex: Building, Simulating, and Analyzing Protein–Ligand Systems in OpenMM
Valerij Talagayev, Yu Chen, Niklas Piet Doering, et al.
Journal of Chemical Information and Modeling (2025)
Closed Access
Valerij Talagayev, Yu Chen, Niklas Piet Doering, et al.
Journal of Chemical Information and Modeling (2025)
Closed Access
Unveiling Novel Vegfr-2 Inhibitors: Qsar Modeling, Molecular Docking, Md and Mm-Gbsa Calculations, Pharmacokinetics Profiling and Dft Studies
Sagir Wasai, Rajesh B. Patil, Adamu Uzairu, et al.
(2025)
Closed Access
Sagir Wasai, Rajesh B. Patil, Adamu Uzairu, et al.
(2025)
Closed Access
Velocity Jumps for Molecular Dynamics
Nicolaï Gouraud, Louis Lagardère, Olivier Adjoua, et al.
Journal of Chemical Theory and Computation (2025)
Open Access
Nicolaï Gouraud, Louis Lagardère, Olivier Adjoua, et al.
Journal of Chemical Theory and Computation (2025)
Open Access
Fluid flow inside slit-shaped nanopores: The role of surface morphology at the molecular scale
Giorgia Marcelli, Tecla Bottinelli Montandon, Roya Ebrahimi Viand, et al.
The Journal of Chemical Physics (2025) Vol. 162, Iss. 10
Open Access
Giorgia Marcelli, Tecla Bottinelli Montandon, Roya Ebrahimi Viand, et al.
The Journal of Chemical Physics (2025) Vol. 162, Iss. 10
Open Access
Structure-Based Insights into Fatty Acid Modulation of Lipid-Sensing Nuclear Receptors PPARδ/γ for Glycemic Regulation
Shankar Gharge, Charushila V. Balikai, Sachin Gudasi
Aspects of Molecular Medicine (2025), pp. 100079-100079
Open Access
Shankar Gharge, Charushila V. Balikai, Sachin Gudasi
Aspects of Molecular Medicine (2025), pp. 100079-100079
Open Access
Unveiling novel VEGFR-2 inhibitors: QSAR modeling, Molecular docking, MD and MM-GBSA calculations, pharmacokinetics profiling and DFT studies
Sagiru Hamza Abdullahi, Rajesh B. Patil, Adamu Uzairu, et al.
Scientific African (2025), pp. e02692-e02692
Open Access
Sagiru Hamza Abdullahi, Rajesh B. Patil, Adamu Uzairu, et al.
Scientific African (2025), pp. e02692-e02692
Open Access
A DFT investigation of the adsorption mechanism of paclitaxel on functionalized graphene oxide for enhanced drug delivery
Bader Huwaimel, Saad Alqarni
Scientific Reports (2025) Vol. 15, Iss. 1
Open Access
Bader Huwaimel, Saad Alqarni
Scientific Reports (2025) Vol. 15, Iss. 1
Open Access
Research Update: Computational materials discovery in soft matter
Tristan Bereau, Denis Andrienko, Kurt Kremer
APL Materials (2016) Vol. 4, Iss. 5
Open Access | Times Cited: 37
Tristan Bereau, Denis Andrienko, Kurt Kremer
APL Materials (2016) Vol. 4, Iss. 5
Open Access | Times Cited: 37
