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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:

Q6: A comprehensive toolkit for empirical valence bond and related free energy calculations
Paul Bauer, Alexandre Barrozo, Miha Purg, et al.
SoftwareX (2018) Vol. 7, pp. 388-395
Open Access | Times Cited: 71

Showing 1-25 of 71 citing articles:

Computational design of enzymes for biotechnological applications
Joan Planas-Iglesias, Sérgio M. Marques, Gaspar Pinto, et al.
Biotechnology Advances (2021) Vol. 47, pp. 107696-107696
Closed Access | Times Cited: 87
Loop Dynamics and Enzyme Catalysis in Protein Tyrosine Phosphatases
Rory Crean, Michal Biler, Marc W. van der Kamp, et al.
Journal of the American Chemical Society (2021) Vol. 143, Iss. 10, pp. 3830-3845
Open Access | Times Cited: 65
Sequence – dynamics – function relationships in protein tyrosine phosphatases
Rory Crean, Marina Corbella, Ana Rita Calixto, et al.
QRB Discovery (2024) Vol. 5
Open Access | Times Cited: 8
Unravelling the mechanism of tyrosinase inhibition by arylpiperidine and arylpiperazine derivatives: A computational approach
Lucas Sousa Martins, Beatriz Alves Bentes, Tricia Naicker, et al.
Computational and Theoretical Chemistry (2025), pp. 115085-115085
Closed Access | Times Cited: 1
QligFEP: an automated workflow for small molecule free energy calculations in Q
Willem Jespers, Mauricio Esguerra, Johan Åqvist, et al.
Journal of Cheminformatics (2019) Vol. 11, Iss. 1
Open Access | Times Cited: 74
Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases
Ruidan Shen, Rory Crean, Keith J. Olsen, et al.
Chemical Science (2022) Vol. 13, Iss. 45, pp. 13524-13540
Open Access | Times Cited: 29
Reactive molecular dynamics: From small molecules to proteins
Markus Meuwly
Wiley Interdisciplinary Reviews Computational Molecular Science (2018) Vol. 9, Iss. 1
Open Access | Times Cited: 49
Complex Loop Dynamics Underpin Activity, Specificity, and Evolvability in the (βα)8 Barrel Enzymes of Histidine and Tryptophan Biosynthesis
Adrian Romero‐Rivera, Marina Corbella, Antonietta Parracino, et al.
JACS Au (2022) Vol. 2, Iss. 4, pp. 943-960
Open Access | Times Cited: 22
Efficient Empirical Valence Bond Simulations with GROMACS
Gabriel Oanca, Florian van der Ent, Johan Åqvist
Journal of Chemical Theory and Computation (2023) Vol. 19, Iss. 17, pp. 6037-6045
Open Access | Times Cited: 15
Mechanistic Insights into Nitrile and Alkyne Covalent Inhibitors of the SARS-CoV-2 Main Protease
Ashim Nandi, Mojgan Asadi, Aoxuan Zhang, et al.
ACS Catalysis (2025), pp. 1158-1169
Closed Access
Ligand and Residue Free Energy Perturbations Solve the Dual Binding Mode Proposal for an A2BAR Partial Agonist
Tana Tandarić, Hugo Gutiérrez‐de‐Terán
The Journal of Physical Chemistry B (2025)
Open Access
Enzyme Enhancement Through Computational Stability Design Targeting NMR-Determined Catalytic Hotspots
Luis I. Gutierrez-Rus, Eva Vos, David Pantoja‐Uceda, et al.
Journal of the American Chemical Society (2025)
Closed Access
Conformational Dynamics and Catalytic Backups in a Hyper-Thermostable Engineered Archaeal Protein Tyrosine Phosphatase
Dariia Yehorova, Nikolas Alansson, Ruidan Shen, et al.
bioRxiv (Cold Spring Harbor Laboratory) (2025)
Open Access
QresFEP: An Automated Protocol for Free Energy Calculations of Protein Mutations in Q
Willem Jespers, Geir Villy Isaksen, Tor Arne Heim Andberg, et al.
Journal of Chemical Theory and Computation (2019) Vol. 15, Iss. 10, pp. 5461-5473
Open Access | Times Cited: 38
Calculation of Heat Capacity Changes in Enzyme Catalysis and Ligand Binding
Johan Åqvist, Florian van der Ent
Journal of Chemical Theory and Computation (2022) Vol. 18, Iss. 10, pp. 6345-6353
Open Access | Times Cited: 21
Hidden Conformational States and Strange Temperature Optima in Enzyme Catalysis
Johan Åqvist, Jaka Sočan, Miha Purg
Biochemistry (2020) Vol. 59, Iss. 40, pp. 3844-3855
Open Access | Times Cited: 31
X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists
Willem Jespers, Grégory Verdon, Jhonny Azuaje, et al.
Angewandte Chemie International Edition (2020) Vol. 59, Iss. 38, pp. 16536-16543
Open Access | Times Cited: 30
Nitrogen-Walk Approach to Explore Bioisosteric Replacements in a Series of Potent A2B Adenosine Receptor Antagonists
Ana Mallo‐Abreu, Rubén Prieto‐Díaz, Willem Jespers, et al.
Journal of Medicinal Chemistry (2020) Vol. 63, Iss. 14, pp. 7721-7739
Closed Access | Times Cited: 28
Computational design of the temperature optimum of an enzyme reaction
Florian van der Ent, Susann Skagseth, Bjarte Aarmo Lund, et al.
Science Advances (2023) Vol. 9, Iss. 26
Open Access | Times Cited: 10
Computer Simulations Reveal an Entirely Entropic Activation Barrier for the Chemical Step in a Designer Enzyme
Johan Åqvist
ACS Catalysis (2022) Vol. 12, Iss. 2, pp. 1452-1460
Open Access | Times Cited: 15
A2Badenosine receptor antagonists rescue lymphocyte activity in adenosine-producing patient-derived cancer models
Apple H.M. Tay, Rubén Prieto‐Díaz, Shiyong Neo, et al.
Journal for ImmunoTherapy of Cancer (2022) Vol. 10, Iss. 5, pp. e004592-e004592
Open Access | Times Cited: 15
Principles of Cold Adaptation of Fish Lactate Dehydrogenases Revealed by Computer Simulations of the Catalytic Reaction
Lucien Koenekoop, Johan Åqvist
Molecular Biology and Evolution (2023) Vol. 40, Iss. 5
Open Access | Times Cited: 8
Recent Developments in Linear Interaction Energy Based Binding Free Energy Calculations
Eko Aditya Rifai, Marc van Dijk, Daan P. Geerke
Frontiers in Molecular Biosciences (2020) Vol. 7
Open Access | Times Cited: 23
Free Energy Calculations for Protein–Ligand Binding Prediction
Willem Jespers, Johan Åqvist, Hugo Gutiérrez‐de‐Terán
Methods in molecular biology (2021), pp. 203-226
Closed Access | Times Cited: 20
Analyzing the Reaction of Orotidine 5′-Phosphate Decarboxylase as a Way to Examine Some Key Catalytic Proposals
Mojgan Asadi, Arieh Warshel
Journal of the American Chemical Society (2022) Vol. 145, Iss. 2, pp. 1334-1341
Open Access | Times Cited: 13
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