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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.Journal of Computational Chemistry|January 1, 2020
Domain-based local pair natural orbital methods within the correlation consistent composite approachPrajay Patel, Angela K WilsonFrontiers in Bioinformatics|January 23, 2024
No-boundary thinking for artificial intelligence in bioinformatics and educationPrajay Patel, Nisha Pillai, Inimary TobyJournal 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 WilsonChemphyschem : 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.Tetrahedron|January 23, 2023
Amide directed iridium C(sp3)-H borylation catalysis with high N-methyl selectivityJonathan E Dannatt, Anshu Yadav, Milton R Smith, 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.Chemical Communications (Cambridge, England)|July 9, 2019
A general diversity oriented synthesis of asymmetric double-decker shaped silsesquioxanesBadru-Deen Barry, Jonathan E Dannatt, Austin K King, et al.Journal 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.Pageof 3