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OpenAlex Citation Counts

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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:

Biomolecular QM/MM Simulations: What Are Some of the “Burning Issues”?
Qiang Cui, Tanmoy Pal, Luke Xie
The Journal of Physical Chemistry B (2021) Vol. 125, Iss. 3, pp. 689-702
Open Access | Times Cited: 121

Showing 1-25 of 121 citing articles:

Perspective on the Current State-of-the-Art of Quantum Computing for Drug Discovery Applications
Nick S. Blunt, Joan Camps, Ophelia Crawford, et al.
Journal of Chemical Theory and Computation (2022) Vol. 18, Iss. 12, pp. 7001-7023
Open Access | Times Cited: 105
Optimizing biodiesel production from waste with computational chemistry, machine learning and policy insights: a review
Ahmed I. Osman, Mahmoud Nasr, Mohamed Farghali, et al.
Environmental Chemistry Letters (2024) Vol. 22, Iss. 3, pp. 1005-1071
Open Access | Times Cited: 50
Integrating cellular electron microscopy with multimodal data to explore biology across space and time
Caitlyn L McCafferty, Sven Klumpe, Rommie E. Amaro, et al.
Cell (2024) Vol. 187, Iss. 3, pp. 563-584
Open Access | Times Cited: 41
Perspectives on Computational Enzyme Modeling: From Mechanisms to Design and Drug Development
Kwangho Nam, Yihan Shao, Dan Thomas Major, et al.
ACS Omega (2024)
Open Access | Times Cited: 22
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed
Wonmuk Hwang, Steven L. Austin, Arnaud Blondel, et al.
The Journal of Physical Chemistry B (2024) Vol. 128, Iss. 41, pp. 9976-10042
Open Access | Times Cited: 22
Highly Efficient Numerical Method for Modeling Mofs Containing Transition Metal Ions
D. D. Raenko, Andrei L. Tchougréeff
Journal of Computational Chemistry (2025) Vol. 46, Iss. 5
Closed Access | Times Cited: 2
Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions
Xiaoliang Pan, Junjie Yang, Richard Van, et al.
Journal of Chemical Theory and Computation (2021) Vol. 17, Iss. 9, pp. 5745-5758
Open Access | Times Cited: 83
Development of Range-Corrected Deep Learning Potentials for Fast, Accurate Quantum Mechanical/Molecular Mechanical Simulations of Chemical Reactions in Solution
Jinzhe Zeng, Timothy J. Giese, Şölen Ekesan, et al.
Journal of Chemical Theory and Computation (2021) Vol. 17, Iss. 11, pp. 6993-7009
Open Access | Times Cited: 68
Harder, better, faster, stronger: Large-scale QM and QM/MM for predictive modeling in enzymes and proteins
Vyshnavi Vennelakanti, Azadeh Nazemi, Rimsha Mehmood, et al.
Current Opinion in Structural Biology (2021) Vol. 72, pp. 9-17
Open Access | Times Cited: 65
UniversalQM/MMapproaches for general nanoscale applications
Katja‐Sophia Csizi, Markus Reiher
Wiley Interdisciplinary Reviews Computational Molecular Science (2023) Vol. 13, Iss. 4
Open Access | Times Cited: 36
Hybrid Quantum Mechanical/Molecular Mechanical Methods For Studying Energy Transduction in Biomolecular Machines
Tomáš Kubař, Marcus Elstner, Qiang Cui
Annual Review of Biophysics (2023) Vol. 52, Iss. 1, pp. 525-551
Open Access | Times Cited: 23
Evaluation of Machine Learning/Molecular Mechanics End-State Corrections with Mechanical Embedding to Calculate Relative Protein–Ligand Binding Free Energies
Johannes Karwounopoulos, M. Bieniek, Zhiyi Wu, et al.
Journal of Chemical Theory and Computation (2025)
Open Access | Times Cited: 1
Hybrid QM/classical models: Methodological advances and new applications
Filippo Lipparini, Benedetta Mennucci
Chemical Physics Reviews (2021) Vol. 2, Iss. 4
Open Access | Times Cited: 47
BuRNN: Buffer Region Neural Network Approach for Polarizable-Embedding Neural Network/Molecular Mechanics Simulations
Bettina Lier, Peter Poliak, Philipp Marquetand, et al.
The Journal of Physical Chemistry Letters (2022) Vol. 13, Iss. 17, pp. 3812-3818
Open Access | Times Cited: 36
Conformational Stability and Denaturation Processes of Proteins Investigated by Electrophoresis under Extreme Conditions
Patrick Masson, Sofya V. Lushchekina
Molecules (2022) Vol. 27, Iss. 20, pp. 6861-6861
Open Access | Times Cited: 36
Computer-aided drug design, quantum-mechanical methods for biological problems
Madushanka Manathunga, Andreas W. Götz, Kenneth M. Merz
Current Opinion in Structural Biology (2022) Vol. 75, pp. 102417-102417
Open Access | Times Cited: 31
Machine learning accelerated photodynamics simulations
Jingbai Li, Steven A. Lopez
Chemical Physics Reviews (2023) Vol. 4, Iss. 3
Open Access | Times Cited: 16
Software Infrastructure for Next-Generation QM/MM−ΔMLP Force Fields
Timothy J. Giese, Jinzhe Zeng, Lauren Lerew, et al.
The Journal of Physical Chemistry B (2024) Vol. 128, Iss. 26, pp. 6257-6271
Closed Access | Times Cited: 6
Exploring the Minimum-Energy Pathways and Free-Energy Profiles of Enzymatic Reactions with QM/MM Calculations
Kiyoshi Yagi, Shingo Ito, Yuji Sugita
The Journal of Physical Chemistry B (2021) Vol. 125, Iss. 18, pp. 4701-4713
Open Access | Times Cited: 36
Multiscale Simulations of the Covalent Inhibition of the SARS-CoV-2 Main Protease: Four Compounds and Three Reaction Mechanisms
Bella L. Grigorenko, Igor V. Polyakov, Maria G. Khrenova, et al.
Journal of the American Chemical Society (2023) Vol. 145, Iss. 24, pp. 13204-13214
Open Access | Times Cited: 16
Harnessing generative AI to decode enzyme catalysis and evolution for enhanced engineering
Wen Jun Xie, Arieh Warshel
National Science Review (2023) Vol. 10, Iss. 12
Open Access | Times Cited: 13
Reweighting from Molecular Mechanics Force Fields to the ANI-2x Neural Network Potential
Sara Tkaczyk, Johannes Karwounopoulos, Andreas Schöller, et al.
Journal of Chemical Theory and Computation (2024) Vol. 20, Iss. 7, pp. 2719-2728
Closed Access | Times Cited: 5
Factors That Determine the Variation of Equilibrium and Kinetic Properties of QM/MM Enzyme Simulations: QM Region, Conformation, and Boundary Condition
Darren Demapan, Jörg Kußmann, Christian Ochsenfeld, et al.
Journal of Chemical Theory and Computation (2022) Vol. 18, Iss. 4, pp. 2530-2542
Open Access | Times Cited: 19
PhysNet meets CHARMM: A framework for routine machine learning/molecular mechanics simulations
K. Song, Silvan Käser, Kai Töpfer, et al.
The Journal of Chemical Physics (2023) Vol. 159, Iss. 2
Open Access | Times Cited: 12
DP/MM: A Hybrid Model for Zinc–Protein Interactions in Molecular Dynamics
Ye Ding, Jing Huang
The Journal of Physical Chemistry Letters (2024) Vol. 15, Iss. 2, pp. 616-627
Open Access | Times Cited: 4
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