Ajeet Kumar Yadav

Employment

Employment history is unavailable.

Education

• Jawaharlal Nehru University Ph.D.
  2018 - 2024
• Jawaharlal Nehru University M.Sc.
  2016 - 2018

Projects & Funding

Projects & funding information is unavailable.

Publications (6)

• Hydration Free Energies for Small Molecules with Physics-based Descriptors: Graph Neural Network with Cross Attention
  2025 DOI: 10.26434/chemrxiv-2025-bzf4z
  +Save
• Physics-Based Machine Learning to Predict Hydration Free Energies for Small Molecules with a Minimal Number of Descriptors: Interpretable and Accurate
  The Journal of Physical Chemistry B 2025 DOI: 10.1021/acs.jpcb.4c07090
  +Save
• Physics-based Machine Learning to Predict Hydration Free Energies for Small Molecules with a minimal number of descriptors: Interpretable and Accurate
  2024 DOI: 10.26434/chemrxiv-2024-v8h0j
  +Save
• Crustwater: Modeling Hydrophobic Solvation
  The Journal of Physical Chemistry B 2022 DOI: 10.1021/acs.jpcb.2c02695
  +Save
• Calcium Ion Binding to the Mutants of Calmodulin: A Structure-Based Computational Predictive Model of Binding Affinity Using a Charge Scaling Approach in Molecular Dynamics Simulation
  Journal of Chemical Information and Modeling 2022 DOI: 10.1021/acs.jcim.2c00428
  +Save
• Analytical 2-Dimensional Model of Nonpolar and Ionic Solvation in Water
  The Journal of Physical Chemistry B 2021 DOI: 10.1021/acs.jpcb.0c10329
  +Save