Publications by authors named "Samrendra Singh"

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Correlation Study of Squash Smear With Histopathology and Radiological Diagnosis of Space-Occupying Lesions of Brain and Spinal Cord.
Amresh Kumar, Anju Singh, Richa Sharma, Mamta Kumari, Samrendra Kumar Singh

Cureus· July 2025

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Data Driven Discovery of MOFs for Hydrogen Gas Adsorption.
Samrendra K Singh, Abhishek T Sose, Fangxi Wang, Karteek K Bejagam, Sanket A Deshmukh

J Chem Theory Comput· October 2023

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Data Driven Computational Design and Experimental Validation of Drugs for Accelerated Mitigation of Pandemic-like Scenarios.
Samrendra K Singh, Kelsie King, Cole Gannett, Christina Chuong, Soumil Y Joshi

J Phys Chem Lett· October 2023

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Solvation dynamics of N-substituted acrylamide polymers and the importance for phase transition behavior.
Isabel Ortiz de Solorzano, Karteek K Bejagam, Yaxin An, Samrendra K Singh, Sanket A Deshmukh

Soft Matter· February 2020

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Machine-Learning Based Stacked Ensemble Model for Accurate Analysis of Molecular Dynamics Simulations.
Samrendra K Singh, Karteek K Bejagam, Yaxin An, Sanket A Deshmukh

J Phys Chem A· June 2019

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Machine-Learning Enabled New Insights into the Coil-to-Globule Transition of Thermosensitive Polymers Using a Coarse-Grained Model.
Karteek K Bejagam, Yaxin An, Samrendra Singh, Sanket A Deshmukh

J Phys Chem Lett· November 2018

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Machine-Learned Coarse-Grained Models.
Karteek K Bejagam, Samrendra Singh, Yaxin An, Sanket A Deshmukh

J Phys Chem Lett· August 2018

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Development of non-bonded interaction parameters between graphene and water using particle swarm optimization.
Karteek K Bejagam, Samrendra Singh, Sanket A Deshmukh

J Comput Chem· May 2018

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PSO-Assisted Development of New Transferable Coarse-Grained Water Models.
Karteek K Bejagam, Samrendra Singh, Yaxin An, Carter Berry, Sanket A Deshmukh

J Phys Chem B· February 2018

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