Citing PyCPET & References

To cite the use of PyCPET in publications, please use the following reference:

PyCPET─Computing Heterogeneous 3D Protein Electric Fields and Their Dynamics

Pujan Ajmera, Santiago Vargas, Shobhit S. Chaturvedi, Matthew Hennefarth, and Anastassia N. Alexandrova

Journal of Chemical Theory and Computation 2025 21 (8), 4299-4308

DOI: 10.1021/acs.jctc.5c00138

References

[Chaturvedi2025]

Distinct Electric Fields Enable Common Catalytic Function in Structurally Diverse Enzymes

Shobhit S. Chaturvedi, Anubhav Goswami, Jiayi Qian, Ashley Petersen, Pujan Ajmera, and Anastassia N. Alexandrova

Journal of the American Chemical Society 2025 147 (35), 32225-32237

DOI: 10.1021/jacs.5c11931

[Ajmera2025]

PyCPET-Computing Heterogeneous 3D Protein Electric Fields and Their Dynamics

Pujan Ajmera, Santiago Vargas, Shobhit S. Chaturvedi, Matthew Hennefarth, and Anastassia N. Alexandrova

Journal of Chemical Theory and Computation 2025 21 (8), 4299-4308

DOI: 10.1021/acs.jctc.5c00138