Shobhit S Chaturvedi

11PUBLICATIONS
21CO-AUTHORS
Biomolecular modelling and designElectrical energy generation (incl. renewables, excl. photovoltaics)Chemical thermodynamics and energeticsDeep learningChemical and thermal processes in energy and combustion
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Publications (11)

|Aug 19, 2025
Distinct Electric Fields Enable Common Catalytic Function in Structurally Diverse Enzymes.

Shobhit S Chaturvedi, Anubhav Goswami, Jiayi Qian

|Apr 08, 2025
PyCPET─Computing Heterogeneous 3D Protein Electric Fields and Their Dynamics.

Pujan Ajmera, Santiago Vargas, Shobhit S Chaturvedi

|Feb 24, 2025
Methods for Theoretical Treatment of Local Fields in Proteins and Enzymes.

Mark E Eberhart, Anastassia N Alexandrova, Pujan Ajmera

|Oct 07, 2024
Machine-Learning Prediction of Protein Function from the Portrait of Its Intramolecular Electric Field.

Santiago Vargas, Shobhit S Chaturvedi, Anastassia N Alexandrova

|Jun 07, 2024
Directed Evolution of Protoglobin Optimizes the Enzyme Electric Field.

Shobhit S Chaturvedi, Santiago Vargas, Pujan Ajmera

|May 23, 2024
The Unique Role of the Second Coordination Sphere to Unlock and Control Catalysis in Nonheme Fe(II)/2-Oxoglutarate Histone Demethylase KDM2A.

Midhun George Thomas, Simahudeen Bathir Jaber Sathik Rifayee, Shobhit S Chaturvedi

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Frequent Collaborators

6 joint publications

Christo Z Christov

6 joint publications

Anastassia N Alexandrova

4 joint publications

Christopher J Schofield

3 joint publications

Rajeev Ramanan