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Enzymatic Modification of N-Terminal Proline Residues Using Phenol Derivatives

Johnathan Maza, Daniel Bader, Lifeng Xiao, Alan Marmelstein, Daniel D. Brauer, Adel M. ElSohly, Matthew J. Smith, Matthew Francis

Version 1 posted 01 October 2018

621

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Biological and Medicinal Chemistry

Working Paper

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

Atanu Acharya, Rupesh Agarwal, Matthew Baker, Jerome Baudry, Debsindhu Bhowmik, Swen Boehm, Kendall Byler, Leighton Coates, Sam Yen-Chi Chen, Connor J. Cooper, Omar Demerdash, Isabella Daidone, John Eblen, Sally R. Ellingson, Stefano Forli, Jens Glaser, James C. Gumbart, John Gunnels, Oscar Hernandez, Stephan Irle, Jeffery Larkin, Travis J Lawrence, Scott LeGrand, Shih-Hsien Liu, Julie C. Mitchell, Gilchan Park, Jerry M. Parks, Anna Pavlova, Loukas Petridis, Duncan Poole, Line Pouchard, Arvind Ramanathan, David Rogers, Diogo Santos-Martins, Aaron Scheinberg, Ada Sedova, Shawn Shen, Jeremy C. Smith, Micholas Smith, Carlos Soto, Aristides Tsaris, Mathialakan Thavappiragasam, Andreas F. Tillack, Josh V Vermaas, Van Quan Vuong, Junqi Yin, Shinjae Yoo, Mai Zahran, Laura Zanetti-Polzi

Version 1 posted 29 July 2020

1,395

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1

Citations

Theoretical and Computational Chemistry

Working Paper

The MolSSI QCArchive Project: An Open-Source Platform to Compute, Organize, and Share Quantum Chemistry Data

Daniel Smith, Doaa Altarawy, Lori Burns, Matthew Welborn, Levi N. Naden, Logan Ward, Sam Ellis, Thomas Crawford

Version 1 posted 05 March 2020

1,285

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Physical Chemistry

Working Paper

Molecular and Crystalline Requirements for Solid State Fluorescence Exploiting Excited State Intramolecular Proton Transfer

Michael Dommett, Miguel Rivera, Matthew T. H. Smith, Rachel Crespo Otero

Version 1 posted 18 June 2019

615

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Materials Science

Working Paper

Self-Assembling Micelles Based on an Intrinsically Disordered Protein Domain

Sarah Klass, Matthew J. Smith, Tahoe Fiala, Jessica Lee, Anthony Omole, Kenneth Downing, Matthew Francis

Version 1 posted 03 October 2018

931

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Theoretical and Computational Chemistry

Working Paper

Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry

Daniel Smith, Lori Burns, Andrew Simmonett, Robert Parrish, Matthew Schieber, Raimondas Galvelis, Peter Kraus, Holger Kruse, Roberto Di Remigio, Asem Alenaizan, Andrew James, Susi Lehtola, Jonathon Misiewicz, Maximilian Scheurer, Robert Shaw, Jeffrey Schriber, Yi Xie, Zachary Glick, Dominic Sirianni, Joseph O'Brien, Jonathan Waldrop, Ashutosh Kumar, Edward G. Hohenstein, Benjamin Pritchard, Bernard Brooks, Henry Schaefer, Alexander Sokolov, Konrad Patkowski, Eugene DePrince, Ugur Bozkaya, Rollin King, Francesco Evangelista, Justin Turney, Thomas Crawford, David Sherrill

Version 1 posted 05 March 2020

1,767

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4

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Organic Chemistry

Working Paper

Electrochemical cobalt-catalyzed selective carboxylation of benzyl halides with CO2 enabled by low-coordinate cobalt electrocatalysts

Christian Malapit, Mayank Tanwar, Andrew Pendergast, Sagar Udyavara, Wesley Beck, Ryan Smith, Selma Kadic, Tommy Primo, Ding Wu, Tanner Stone, Henry White, Matthew Neurock, Matthew Sigman, Shelley Minteer

Version 1 posted 05 November 2021

1,612

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Organic Chemistry

Working Paper

The Catalytic Enantioselective [1,2]-Wittig Rearrangement of Allylic Ethers

Tengfei Kang, Justin O'Yang, Kevin Kasten, Elliot Farrar, Samuel Allsop, Martin Juhl, David Cordes, Aidan McKay, Matthew Grayson, Andrew Smith

Version 2 posted 08 December 2023

1,159

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Organic Chemistry

Working Paper

Zirconium Hydride Catalysis Initiated by Tetrabutylammonium Fluoride

Stephen Harwood, Athenea Aloiau, Briana Bobek, Kelly Pearson, Kendall Cherry, Christopher Smith, John Ketcham, Matthew Marx

Version 1 posted 10 May 2024

319

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Theoretical and Computational Chemistry

Working Paper

Data-driven Screening and Discovery of Metal- organic Frameworks as C2 Adsorbents from Over 900 Experimental Isotherms

Matthew Rivera, Gianmarco Terrones, Tae Hoon Lee, Zachary Smith, Heather Kulik

Version 1 posted 08 August 2024

241

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30 results in Matthew Smith in Authors: Matthew Smith

Enzymatic Modification of N-Terminal Proline Residues Using Phenol Derivatives

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

The MolSSI QCArchive Project: An Open-Source Platform to Compute, Organize, and Share Quantum Chemistry Data

Molecular and Crystalline Requirements for Solid State Fluorescence Exploiting Excited State Intramolecular Proton Transfer

Self-Assembling Micelles Based on an Intrinsically Disordered Protein Domain

Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry

Electrochemical cobalt-catalyzed selective carboxylation of benzyl halides with CO2 enabled by low-coordinate cobalt electrocatalysts

The Catalytic Enantioselective [1,2]-Wittig Rearrangement of Allylic Ethers

Zirconium Hydride Catalysis Initiated by Tetrabutylammonium Fluoride

Data-driven Screening and Discovery of Metal- organic Frameworks as C2 Adsorbents from Over 900 Experimental Isotherms

30 results in Authors: Matthew Smith