Search

Earth, Space, and Environmental Chemistry

Addressing Environmental- and Public Health through Urban Water Profiling of Emerging Contaminants in a South African Urban Setting

Edward Archer, Elizabeth Holton, James Fidal, Barbara Kasprzyk-Hordern, Alno Carstens, Ludwig Brocker, Thomas Kjeldsen, Gideon Wolfaardt

Version 1 posted 13 May 2022

144

Downloads

1

Citations

Analytical Chemistry

Working Paper

In-line Thermal Desorption and Dielectric Barrier Discharge Ionization for Rapid Mass Spectrometry Detection of Explosives

Thomas P Forbes, Elizabeth Robinson, Edward Sisco, Abigail Koss

Version 1 posted 10 June 2024

58

Downloads

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

1,693

Downloads

3

Citations

Biological and Medicinal Chemistry

Working Paper

Identification of β-Strand Mediated Protein-Protein Interaction Inhibitors Using Ligand-Directed Fragment Ligation

Zsófia Hegedüs Zsófia Hegedüs, Fruzsina Hobor, Deborah K. Shoemark, sergio Celis, Lu-Yun Lian, Chi Trinh, Richard Sessions, Thomas Edwards, Andrew Wilson

Version 1 posted 05 June 2020

512

Downloads

Biological and Medicinal Chemistry

Working Paper

Discovery of a Potent and Selective Covalent Inhibitor and Activity-Based Probe for the Deubiquitylating Enzyme UCHL1, with Anti-Fibrotic Activity

Nattawadee Panyain, Aurélien Godinat, Thomas Lanyon-Hogg, Sofía Lachiondo-Ortega, Edward J. Will, Christelle Soudy, Katie Mason, Sarah Elkhalifa, Lisa M. Smith, Jeanine A. Harrigan, Edward Tate

Version 1 posted 31 October 2019

1,111

Downloads

2

Citations

Physical Chemistry

Working Paper

Characterization of Frequency-Chirped Dynamic Nuclear Polarization in Rotating Solids

Patrick Judge, Erika L. Sesti, Nicholas Alaniva, Edward P. Saliba, Lauren Price, Chukun Gao, Thomas Halbritter, Snorri Th. Sigurdsson, George B. Kyei, Alexander B. Barnes

Version 1 posted 24 January 2020

487

Downloads

Biological and Medicinal Chemistry

Working Paper

Predicting and Experimentally Validating Hot-Spot Residues at Protein-Protein Interfaces

Amaurys Ibarra, Gail J. Bartlett, Zsofia Hegedus, Som Dutt, Fruzsina Hobor, Katherine Horner, Kristina Hetherington, Kirstin Spence, Adam Nelson, Thomas Edwards, Derek N Woolfson, Richard Sessions, Andrew Wilson

Version 1 posted 03 July 2019

792

Downloads

Theoretical and Computational Chemistry

Working Paper

Key Molecular Descriptors Distinguishing Between Synthetic and Natural Products

Nathaniel Thomas, Sweekrit Bhatnagar, Avirral Agarwal, Anya Iyer, Niranjana Sankar, Manav Bhargava, Spencer Ye, Edwin Li, Ritam Nandi, Edward Njoo, Robert Downing

Version 1 posted 03 October 2023

251

Downloads

Chemical Education

Working Paper

Virtual computational chemistry teaching laboratories – hands-on at a distance

Rika Kobayashi, Theodorus P. M. Goumans, N. Ole Carstensen, Thomas M. Soini, Nicola Marzari, Iurii Timrov, Samuel Poncé, Edward B. Linscott, Christopher J. Sewell, Giovanni Pizzi, Francisco Ramirez, Marnik Bercx, Sebastiaan P. Huber, Carl S. Adorf, Leopold Talirz

Version 3 posted 09 August 2021

1,151

Downloads

Earth, Space, and Environmental Chemistry

Working Paper

Spatiotemporal urban water profiling for the assessment of environmental and public exposure to antimicrobials (antibiotics, antifungals, and antivirals) in the Eerste River Catchment, South Africa

ELizabeth Holton, Edward Archer, James Fidal, Thomas Kjeldson, Gideon Wolfaardt, Barbara Kasprzyk-Hordern

Version 2 posted 08 November 2021

382

Downloads

Refine Search

21 results in Thomas Edwards in Authors: Thomas Edwards

Addressing Environmental- and Public Health through Urban Water Profiling of Emerging Contaminants in a South African Urban Setting

In-line Thermal Desorption and Dielectric Barrier Discharge Ionization for Rapid Mass Spectrometry Detection of Explosives

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

Identification of β-Strand Mediated Protein-Protein Interaction Inhibitors Using Ligand-Directed Fragment Ligation

Discovery of a Potent and Selective Covalent Inhibitor and Activity-Based Probe for the Deubiquitylating Enzyme UCHL1, with Anti-Fibrotic Activity

Characterization of Frequency-Chirped Dynamic Nuclear Polarization in Rotating Solids

Predicting and Experimentally Validating Hot-Spot Residues at Protein-Protein Interfaces

Key Molecular Descriptors Distinguishing Between Synthetic and Natural Products

Virtual computational chemistry teaching laboratories – hands-on at a distance

Spatiotemporal urban water profiling for the assessment of environmental and public exposure to antimicrobials (antibiotics, antifungals, and antivirals) in the Eerste River Catchment, South Africa

21 results in Authors: Thomas Edwards