Abdulkadir Kocak
9PUBLICATIONS
4CO-AUTHORS
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Publications (9)
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|Nov 28, 2025
Data-Efficient Equivariant NNPs Enable DFT-Accurate Simulations and Implicit Solvation Free Energies.Esma Mutlu, Selonou G Kankinou, Omer Tayfuroglu
|Mar 14, 2025
Modeling Gas Adsorption and Mechanistic Insights into Flexibility in Isoreticular Metal-Organic Frameworks Using High-Dimensional Neural Network Potentials.Omer Tayfuroglu, Abdulkadir Kocak, Yunus Zorlu
|Mar 04, 2025
DeepConf: Leveraging ANI-ML Potentials for Exploring Local Minima with Application to Bioactive Conformations.Omer Tayfuroglu, Irem N Zengin, M Serdar Koca
|May 12, 2023
Revisiting MMPBSA by Adoption of MC-Based Surface Area/Volume, ANI-ML Potentials, and Two-Valued Interior Dielectric Constant.Ebru Akkus, Omer Tayfuroglu, Muslum Yildiz
|Nov 03, 2022
The performance of ANI-ML potentials for ligand-n(H2 O) interaction energies and estimation of hydration free energies from end-point MD simulations.Mütesir Temel, Omer Tayfuroglu, Abdulkadir Kocak
|Aug 16, 2022
Accurate Binding Free Energy Method from End-State MD Simulations.Ebru Akkus, Omer Tayfuroglu, Muslum Yildiz
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