
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:
Enhanced Sampling with Machine Learning
Mehdi Shams, Zachary A. Smith, Lukas Herron, et al.
Annual Review of Physical Chemistry (2024) Vol. 75, Iss. 1, pp. 347-370
Open Access | Times Cited: 47
Mehdi Shams, Zachary A. Smith, Lukas Herron, et al.
Annual Review of Physical Chemistry (2024) Vol. 75, Iss. 1, pp. 347-370
Open Access | Times Cited: 47
Showing 1-25 of 47 citing articles:
Computational Methods for Modeling Lipid-Mediated Active Pharmaceutical Ingredient Delivery
Markéta Paloncýová, Mariana Valério, Ricardo Nascimento dos Santos, et al.
Molecular Pharmaceutics (2025)
Open Access | Times Cited: 2
Markéta Paloncýová, Mariana Valério, Ricardo Nascimento dos Santos, et al.
Molecular Pharmaceutics (2025)
Open Access | Times Cited: 2
Exploring Kinase Asp-Phe-Gly (DFG) Loop Conformational Stability with AlphaFold2-RAVE
Bodhi P. Vani, Akashnathan Aranganathan, Pratyush Tiwary
Journal of Chemical Information and Modeling (2023) Vol. 64, Iss. 7, pp. 2789-2797
Open Access | Times Cited: 24
Bodhi P. Vani, Akashnathan Aranganathan, Pratyush Tiwary
Journal of Chemical Information and Modeling (2023) Vol. 64, Iss. 7, pp. 2789-2797
Open Access | Times Cited: 24
Transferable deep generative modeling of intrinsically disordered protein conformations
Giacomo Janson, Michael Feig
PLoS Computational Biology (2024) Vol. 20, Iss. 5, pp. e1012144-e1012144
Open Access | Times Cited: 11
Giacomo Janson, Michael Feig
PLoS Computational Biology (2024) Vol. 20, Iss. 5, pp. e1012144-e1012144
Open Access | Times Cited: 11
Enhanced Sampling of Crystal Nucleation with Graph Representation Learnt Variables
Ziyue Zou, Pratyush Tiwary
The Journal of Physical Chemistry B (2024) Vol. 128, Iss. 12, pp. 3037-3045
Open Access | Times Cited: 9
Ziyue Zou, Pratyush Tiwary
The Journal of Physical Chemistry B (2024) Vol. 128, Iss. 12, pp. 3037-3045
Open Access | Times Cited: 9
WeTICA: A directed search weighted ensemble based enhanced sampling method to estimate rare event kinetics in a reduced dimensional space
Sudipta Mitra, Ranjit Biswas, Suman Chakrabarty
The Journal of Chemical Physics (2025) Vol. 162, Iss. 3
Open Access | Times Cited: 1
Sudipta Mitra, Ranjit Biswas, Suman Chakrabarty
The Journal of Chemical Physics (2025) Vol. 162, Iss. 3
Open Access | Times Cited: 1
The Physics-AI Dialogue in Drug Design
Pablo Andrés Vargas-Rosales, Amedeo Caflisch
RSC Medicinal Chemistry (2025)
Open Access | Times Cited: 1
Pablo Andrés Vargas-Rosales, Amedeo Caflisch
RSC Medicinal Chemistry (2025)
Open Access | Times Cited: 1
Modeling Boltzmann-weighted structural ensembles of proteins using artificial intelligence–based methods
Akashnathan Aranganathan, Xinyu Gu, Dedi Wang, et al.
Current Opinion in Structural Biology (2025) Vol. 91, pp. 103000-103000
Open Access | Times Cited: 1
Akashnathan Aranganathan, Xinyu Gu, Dedi Wang, et al.
Current Opinion in Structural Biology (2025) Vol. 91, pp. 103000-103000
Open Access | Times Cited: 1
Thermodynamics-inspired explanations of artificial intelligence
Shams Mehdi, Pratyush Tiwary
Nature Communications (2024) Vol. 15, Iss. 1
Open Access | Times Cited: 7
Shams Mehdi, Pratyush Tiwary
Nature Communications (2024) Vol. 15, Iss. 1
Open Access | Times Cited: 7
Calculating Protein–Ligand Residence Times through State Predictive Information Bottleneck Based Enhanced Sampling
Suemin Lee, Dedi Wang, Markus A. Seeliger, et al.
Journal of Chemical Theory and Computation (2024) Vol. 20, Iss. 14, pp. 6341-6349
Open Access | Times Cited: 6
Suemin Lee, Dedi Wang, Markus A. Seeliger, et al.
Journal of Chemical Theory and Computation (2024) Vol. 20, Iss. 14, pp. 6341-6349
Open Access | Times Cited: 6
From Latent Dynamics to Meaningful Representations
Dedi Wang, Yihang Wang, Luke Evans, et al.
Journal of Chemical Theory and Computation (2024) Vol. 20, Iss. 9, pp. 3503-3513
Open Access | Times Cited: 5
Dedi Wang, Yihang Wang, Luke Evans, et al.
Journal of Chemical Theory and Computation (2024) Vol. 20, Iss. 9, pp. 3503-3513
Open Access | Times Cited: 5
Predicting Conformational Ensembles of Intrinsically Disordered Proteins: From Molecular Dynamics to Machine Learning
Jana Aupič, Pavlína Pokorná, Sharon Ruthstein, et al.
The Journal of Physical Chemistry Letters (2024) Vol. 15, Iss. 32, pp. 8177-8186
Closed Access | Times Cited: 5
Jana Aupič, Pavlína Pokorná, Sharon Ruthstein, et al.
The Journal of Physical Chemistry Letters (2024) Vol. 15, Iss. 32, pp. 8177-8186
Closed Access | Times Cited: 5
Transferable deep generative modeling of intrinsically disordered protein conformations
Giacomo Janson, Michael Feig
bioRxiv (Cold Spring Harbor Laboratory) (2024)
Open Access | Times Cited: 4
Giacomo Janson, Michael Feig
bioRxiv (Cold Spring Harbor Laboratory) (2024)
Open Access | Times Cited: 4
Empowering AlphaFold2 for protein conformation selective drug discovery with AlphaFold2-RAVE
Xinyu Gu, Akashnathan Aranganathan, Pratyush Tiwary
eLife (2024) Vol. 13
Open Access | Times Cited: 4
Xinyu Gu, Akashnathan Aranganathan, Pratyush Tiwary
eLife (2024) Vol. 13
Open Access | Times Cited: 4
Molecular dynamics simulations for the structure-based drug design: targeting small-GTPases proteins
Angela Parise, Sofia Cresca, Alessandra Magistrato
Expert Opinion on Drug Discovery (2024) Vol. 19, Iss. 10, pp. 1259-1279
Closed Access | Times Cited: 4
Angela Parise, Sofia Cresca, Alessandra Magistrato
Expert Opinion on Drug Discovery (2024) Vol. 19, Iss. 10, pp. 1259-1279
Closed Access | Times Cited: 4
Empowering AlphaFold2 for protein conformation selective drug discovery with AlphaFold2-RAVE
Xinyu Gu, Akashnathan Aranganathan, Pratyush Tiwary
(2024)
Open Access | Times Cited: 4
Xinyu Gu, Akashnathan Aranganathan, Pratyush Tiwary
(2024)
Open Access | Times Cited: 4
Utilizing Molecular Dynamics Simulations, Machine Learning, Cryo-EM, and NMR Spectroscopy to Predict and Validate Protein Dynamics
Ahrum Son, Woojin Kim, Jongham Park, et al.
International Journal of Molecular Sciences (2024) Vol. 25, Iss. 17, pp. 9725-9725
Open Access | Times Cited: 4
Ahrum Son, Woojin Kim, Jongham Park, et al.
International Journal of Molecular Sciences (2024) Vol. 25, Iss. 17, pp. 9725-9725
Open Access | Times Cited: 4
Determinants of SMEs' strategic entrepreneurial innovative digitalization: examining the mediation role of human capital
Md Billal Hossain, Mujib Ur Rahman, Tomaž Čater, et al.
European Journal of Innovation Management (2024)
Closed Access | Times Cited: 4
Md Billal Hossain, Mujib Ur Rahman, Tomaž Čater, et al.
European Journal of Innovation Management (2024)
Closed Access | Times Cited: 4
PiNN: Equivariant Neural Network Suite for Modeling Electrochemical Systems
Jichen Li, Lisanne Knijff, Zhan‐Yun Zhang, et al.
Journal of Chemical Theory and Computation (2025)
Open Access
Jichen Li, Lisanne Knijff, Zhan‐Yun Zhang, et al.
Journal of Chemical Theory and Computation (2025)
Open Access
Machine learning of slow collective variables and enhanced sampling via spatial techniques
Tuğçe Gökdemir, Jakub Rydzewski
Chemical Physics Reviews (2025) Vol. 6, Iss. 1
Open Access
Tuğçe Gökdemir, Jakub Rydzewski
Chemical Physics Reviews (2025) Vol. 6, Iss. 1
Open Access
Machine learning in molecular biophysics: Protein allostery, multi-level free energy simulations, and lipid phase transitions
Qiang Cui
Biophysics Reviews (2025) Vol. 6, Iss. 1
Closed Access
Qiang Cui
Biophysics Reviews (2025) Vol. 6, Iss. 1
Closed Access
Identification and Understanding of Allostery Hotspots in Proteins: Integration of Deep Mutational Scanning and Multi-faceted Computational Analyses
Qiang Cui
Journal of Molecular Biology (2025), pp. 168998-168998
Closed Access
Qiang Cui
Journal of Molecular Biology (2025), pp. 168998-168998
Closed Access
Machine Learning of Slow Collective Variables and Enhanced Sampling via Spatial Techniques
Tuğçe Gökdemir, Jakub Rydzewski
(2025)
Open Access
Tuğçe Gökdemir, Jakub Rydzewski
(2025)
Open Access
Sampling Conformational Ensembles of Highly Dynamic Proteins via Generative Deep Learning
Talant Ruzmetov, Ta I Hung, Saisri Padmaja Jonnalagedda, et al.
Journal of Chemical Information and Modeling (2025)
Closed Access
Talant Ruzmetov, Ta I Hung, Saisri Padmaja Jonnalagedda, et al.
Journal of Chemical Information and Modeling (2025)
Closed Access
Delving into the crucial role of the initial structure in the dynamic and self-assembly of amyloid beta
Maryam Ghorbaninia, Shirin Doroudgar, Mohamad Reza Ganjalikhany
Biochemical and Biophysical Research Communications (2025) Vol. 758, pp. 151652-151652
Closed Access
Maryam Ghorbaninia, Shirin Doroudgar, Mohamad Reza Ganjalikhany
Biochemical and Biophysical Research Communications (2025) Vol. 758, pp. 151652-151652
Closed Access
Koopman-based Control for Stochastic Systems: Application to Enhanced Sampling
Lei Guo, Jan Heiland, Feliks Nüske
IFAC-PapersOnLine (2025) Vol. 59, Iss. 1, pp. 283-288
Open Access
Lei Guo, Jan Heiland, Feliks Nüske
IFAC-PapersOnLine (2025) Vol. 59, Iss. 1, pp. 283-288
Open Access