
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:
Implementing and Assessing an Alchemical Method for Calculating Protein–Protein Binding Free Energy
Dharmeshkumar Patel, Jagdish Suresh Patel, F. Marty Ytreberg
Journal of Chemical Theory and Computation (2021) Vol. 17, Iss. 4, pp. 2457-2464
Open Access | Times Cited: 26
Dharmeshkumar Patel, Jagdish Suresh Patel, F. Marty Ytreberg
Journal of Chemical Theory and Computation (2021) Vol. 17, Iss. 4, pp. 2457-2464
Open Access | Times Cited: 26
Showing 1-25 of 26 citing articles:
Free Energy Perturbation Calculations of Mutation Effects on SARS-CoV-2 RBD::ACE2 Binding Affinity
Alina P. Sergeeva, Phinikoula S. Katsamba, Junzhuo Liao, et al.
Journal of Molecular Biology (2023) Vol. 435, Iss. 15, pp. 168187-168187
Open Access | Times Cited: 17
Alina P. Sergeeva, Phinikoula S. Katsamba, Junzhuo Liao, et al.
Journal of Molecular Biology (2023) Vol. 435, Iss. 15, pp. 168187-168187
Open Access | Times Cited: 17
Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein:Protein Complex
Ivy Zhang, Dominic A. Rufa, Iván Pulido, et al.
Journal of Chemical Theory and Computation (2023) Vol. 19, Iss. 15, pp. 4863-4882
Open Access | Times Cited: 13
Ivy Zhang, Dominic A. Rufa, Iván Pulido, et al.
Journal of Chemical Theory and Computation (2023) Vol. 19, Iss. 15, pp. 4863-4882
Open Access | Times Cited: 13
Searching potential GSK-3β inhibitors from marine sources using atomistic simulations
Tran Thi Hoai Van, Phạm Minh Quân, Trần Thu Hương, et al.
Molecular Diversity (2025)
Closed Access
Tran Thi Hoai Van, Phạm Minh Quân, Trần Thu Hương, et al.
Molecular Diversity (2025)
Closed Access
Exploring PROTAC Cooperativity with Coarse-Grained Alchemical Methods
Huanghao Mai, Matthew Zimmer, Thomas F. Miller
The Journal of Physical Chemistry B (2023) Vol. 127, Iss. 2, pp. 446-455
Open Access | Times Cited: 12
Huanghao Mai, Matthew Zimmer, Thomas F. Miller
The Journal of Physical Chemistry B (2023) Vol. 127, Iss. 2, pp. 446-455
Open Access | Times Cited: 12
Comparison of Equilibrium and Nonequilibrium Approaches for Relative Binding Free Energy Predictions
Shunzhou Wan, Agastya P. Bhati, Peter V. Coveney
Journal of Chemical Theory and Computation (2023) Vol. 19, Iss. 21, pp. 7846-7860
Open Access | Times Cited: 12
Shunzhou Wan, Agastya P. Bhati, Peter V. Coveney
Journal of Chemical Theory and Computation (2023) Vol. 19, Iss. 21, pp. 7846-7860
Open Access | Times Cited: 12
Estimating AChE inhibitors from MCE database by machine learning and atomistic calculations
Quynh Mai Thai, Trung Hai Nguyen, George Binh Lenon, et al.
Journal of Molecular Graphics and Modelling (2024) Vol. 134, pp. 108906-108906
Closed Access | Times Cited: 3
Quynh Mai Thai, Trung Hai Nguyen, George Binh Lenon, et al.
Journal of Molecular Graphics and Modelling (2024) Vol. 134, pp. 108906-108906
Closed Access | Times Cited: 3
Searching for AChE inhibitors from natural compounds by using machine learning and atomistic simulations
Quynh Mai Thai, T. Ngoc Han Pham, Đinh Minh Hiệp, et al.
Journal of Molecular Graphics and Modelling (2022) Vol. 115, pp. 108230-108230
Closed Access | Times Cited: 12
Quynh Mai Thai, T. Ngoc Han Pham, Đinh Minh Hiệp, et al.
Journal of Molecular Graphics and Modelling (2022) Vol. 115, pp. 108230-108230
Closed Access | Times Cited: 12
Comparing Supervised Learning and Rigorous Approach for Predicting Protein Stability upon Point Mutations in Difficult Targets
Jason Kurniawan, Takashi Ishida
Journal of Chemical Information and Modeling (2023) Vol. 63, Iss. 21, pp. 6778-6788
Closed Access | Times Cited: 5
Jason Kurniawan, Takashi Ishida
Journal of Chemical Information and Modeling (2023) Vol. 63, Iss. 21, pp. 6778-6788
Closed Access | Times Cited: 5
Application of an alchemical free energy method for the prediction of thermostable DuraPETase variants
Sebastian J. Schreiber, David Gercke, Florian Lenz, et al.
Applied Microbiology and Biotechnology (2024) Vol. 108, Iss. 1
Open Access | Times Cited: 1
Sebastian J. Schreiber, David Gercke, Florian Lenz, et al.
Applied Microbiology and Biotechnology (2024) Vol. 108, Iss. 1
Open Access | Times Cited: 1
A FRET-Based Assay for the Identification of PCNA Inhibitors
Sarah Hardebeck, Sebastian J. Schreiber, Annika Adick, et al.
International Journal of Molecular Sciences (2023) Vol. 24, Iss. 14, pp. 11858-11858
Open Access | Times Cited: 4
Sarah Hardebeck, Sebastian J. Schreiber, Annika Adick, et al.
International Journal of Molecular Sciences (2023) Vol. 24, Iss. 14, pp. 11858-11858
Open Access | Times Cited: 4
Assessment of a Computational Approach to Predict Drug Resistance Mutations for HIV, HBV and SARS-CoV-2
Dharmeshkumar Patel, Ono S, Leda Bassit, et al.
Molecules (2022) Vol. 27, Iss. 17, pp. 5413-5413
Open Access | Times Cited: 6
Dharmeshkumar Patel, Ono S, Leda Bassit, et al.
Molecules (2022) Vol. 27, Iss. 17, pp. 5413-5413
Open Access | Times Cited: 6
Predicting binding affinity changes from long‐distance mutations using molecular dynamics simulations and Rosetta
Nicholas G. M. Wells, Colin A. Smith
Proteins Structure Function and Bioinformatics (2023) Vol. 91, Iss. 7, pp. 920-932
Open Access | Times Cited: 3
Nicholas G. M. Wells, Colin A. Smith
Proteins Structure Function and Bioinformatics (2023) Vol. 91, Iss. 7, pp. 920-932
Open Access | Times Cited: 3
Identifying and overcoming the sampling challenges in relative binding free energy calculations of a model protein:protein complex
Ivy Zhang, Dominic A. Rufa, Iván Pulido, et al.
bioRxiv (Cold Spring Harbor Laboratory) (2023)
Open Access | Times Cited: 3
Ivy Zhang, Dominic A. Rufa, Iván Pulido, et al.
bioRxiv (Cold Spring Harbor Laboratory) (2023)
Open Access | Times Cited: 3
Alchemical Calculation of Relative Free Energies for Charge-Changing Mutations at Protein–Protein Interfaces Considering Fixed and Variable Protonation States
Jorge Enrique Hernández González, Alexandre Suman de Araújo
Journal of Chemical Information and Modeling (2023) Vol. 63, Iss. 21, pp. 6807-6822
Closed Access | Times Cited: 3
Jorge Enrique Hernández González, Alexandre Suman de Araújo
Journal of Chemical Information and Modeling (2023) Vol. 63, Iss. 21, pp. 6807-6822
Closed Access | Times Cited: 3
A FRET Based Assay for the Identification of PCNA Inhibitors
Sarah Hardebeck, Sebastian J. Schreiber, Annika Adick, et al.
(2023)
Open Access | Times Cited: 2
Sarah Hardebeck, Sebastian J. Schreiber, Annika Adick, et al.
(2023)
Open Access | Times Cited: 2
Thermodynamics and kinetics in antibody resistance of the 501Y.V2 SARS-CoV-2 variant
Son Tung Ngo, Trung Hai Nguyen, Duc-Hung Pham, et al.
RSC Advances (2021) Vol. 11, Iss. 53, pp. 33438-33446
Open Access | Times Cited: 5
Son Tung Ngo, Trung Hai Nguyen, Duc-Hung Pham, et al.
RSC Advances (2021) Vol. 11, Iss. 53, pp. 33438-33446
Open Access | Times Cited: 5
Correction Schemes for Absolute Binding Free Energies Involving Lipid Bilayers
Zhiyi Wu, Philip C. Biggin
Journal of Chemical Theory and Computation (2022) Vol. 18, Iss. 4, pp. 2657-2672
Open Access | Times Cited: 3
Zhiyi Wu, Philip C. Biggin
Journal of Chemical Theory and Computation (2022) Vol. 18, Iss. 4, pp. 2657-2672
Open Access | Times Cited: 3
In Vitro and In Silico Explorations of the Protein Conformational Changes of Corynebacterium glutamicum MshA, a Model Retaining GT-B Glycosyltransferase
Bakar A. Hassan, Jozafina Milicaj, Meka Tyson, et al.
Biochemistry (2024) Vol. 63, Iss. 7, pp. 939-951
Closed Access
Bakar A. Hassan, Jozafina Milicaj, Meka Tyson, et al.
Biochemistry (2024) Vol. 63, Iss. 7, pp. 939-951
Closed Access
Antiviral insulin signaling during West Nile virus infection results in viral mutations
Aditya B. Char, Chasity E. Trammell, Stephen Fawcett, et al.
bioRxiv (Cold Spring Harbor Laboratory) (2024)
Open Access
Aditya B. Char, Chasity E. Trammell, Stephen Fawcett, et al.
bioRxiv (Cold Spring Harbor Laboratory) (2024)
Open Access
Thermodynamic Details of Pinholin S2168 Activation Revealed Using Alchemical Free Energy Simulations
Ted Kalbfleisch, Tanbir Ahammad, Gary A. Lorigan, et al.
The Journal of Physical Chemistry B (2024) Vol. 128, Iss. 36, pp. 8762-8770
Closed Access
Ted Kalbfleisch, Tanbir Ahammad, Gary A. Lorigan, et al.
The Journal of Physical Chemistry B (2024) Vol. 128, Iss. 36, pp. 8762-8770
Closed Access
Searching for potential acetylcholinesterase inhibitors: a combined approach of multi-step similarity search, machine learning and molecular dynamics simulations
Quynh Mai Thai, Phạm Minh Quân, Phuong‐Thao Tran, et al.
Royal Society Open Science (2024) Vol. 11, Iss. 10
Open Access
Quynh Mai Thai, Phạm Minh Quân, Phuong‐Thao Tran, et al.
Royal Society Open Science (2024) Vol. 11, Iss. 10
Open Access
Sustained antiviral insulin signaling during West Nile virus infection results in viral mutations
Aditya B. Char, Chasity E. Trammell, Stephen Fawcett, et al.
Frontiers in Cellular and Infection Microbiology (2024) Vol. 14
Open Access
Aditya B. Char, Chasity E. Trammell, Stephen Fawcett, et al.
Frontiers in Cellular and Infection Microbiology (2024) Vol. 14
Open Access
Integrative computational pipeline for identifying binding‐enhancing mutations targeting the MBD2 –p66α interaction: Implications for therapeutic applications
Sargol Mazraedoost, Hadi Sedigh Malekroodi, Myunggi Yi, et al.
Bulletin of the Korean Chemical Society (2024)
Closed Access
Sargol Mazraedoost, Hadi Sedigh Malekroodi, Myunggi Yi, et al.
Bulletin of the Korean Chemical Society (2024)
Closed Access
Computing ionization free energies of indicator dyes in micelles with fast growth alchemical transformation
Vladimir Farafonov
Kharkov University Bulletin Chemical Series (2024), Iss. 42, pp. 45-52
Open Access
Vladimir Farafonov
Kharkov University Bulletin Chemical Series (2024), Iss. 42, pp. 45-52
Open Access
Free energy perturbation calculations of mutation effects on SARS-CoV-2 RBD::ACE2 binding affinity
Alina P. Sergeeva, Phinikoula S. Katsamba, Jared M. Sampson, et al.
bioRxiv (Cold Spring Harbor Laboratory) (2022)
Open Access | Times Cited: 2
Alina P. Sergeeva, Phinikoula S. Katsamba, Jared M. Sampson, et al.
bioRxiv (Cold Spring Harbor Laboratory) (2022)
Open Access | Times Cited: 2