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Journal of Computational Chemistry|January 1, 2020
Domain-based local pair natural orbital methods within the correlation consistent composite approachPrajay Patel, Angela K WilsonJournal of Computational Chemistry|September 10, 2019
Prediction of pKa s of Late Transition-Metal Hydrides via a QM/QM ApproachPrajay Patel, Jiaqi Wang, Angela K WilsonJournal of Computer-Aided Molecular Design|September 19, 2018
SAMPL6 host-guest challenge: binding free energies via a multistep approachYiğitcan Eken, Prajay Patel, Thomas Díaz, et al.Journal of Computational Chemistry|February 20, 2024
Potential energy surfaces and dynamic properties via ab initio composite and density functional approachesPrajay Patel, Joseph Chung, Max Aksel Bowman, et al.Journal of Computer-Aided Molecular Design|February 1, 2020
SAMPL6 logP challenge: machine learning and quantum mechanical approachesPrajay Patel, David M Kuntz, Michael R Jones, et al.Frontiers in Bioinformatics|January 23, 2024
No-boundary thinking for artificial intelligence in bioinformatics and educationPrajay Patel, Nisha Pillai, Inimary TobyChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 12, 2025
Understanding the active site structures and achieving catalytic activity tuning of atomically dispersed FeN4 sites for oxygen reduction reactionJiayi Xu, Prajay Patel, Chang Yan, et al.The Journal of Physical Chemistry. A|June 6, 2022
Computational Aspects of Single-Molecule Kinetics for Coupled Catalytic Cycles: A Spectral AnalysisSuming An, Prajay Patel, Cong Liu, et al.Journal of Child Neurology|March 12, 2020
Screening for Carpal Tunnel Syndrome in Patients With MucopolysaccharidosisPrajay Patel, Georgia Antoniou, Damian Clark, et al.Physical Chemistry Chemical Physics : PCCP|February 20, 2024
Integrating multiscale and machine learning approaches towards the SAMPL9 log P challengeMichael R Draper, Asa Waterman, Jonathan E Dannatt, et al.Pageof 14