Leighton Coates STS Instrument Systems Manager Contact coatesl@ornl.gov | 865.574.4620 All Publications Direct Observation of Protonation State Modulation in SARS-CoV-2 Main Protease upon Inhibitor Binding with Neutron Crystallog... Probing the SARS-CoV-2 main protease active site as a target to inhibit viral replication... Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease Unusual zwitterionic catalytic site of SARS–CoV-2 main protease revealed by neutron crystallography... Malleability of the SARS-CoV-2 3CL Mpro Active-Site Cavity Facilitates Binding of Clinical Antivirals... Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19... Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: insi... Room-temperature neutron and X-ray data collection of 3CL M pro from SARS-CoV-2... The structure of a potassium-selective ion channel reveals a hydrophobic gate regulating ion permeation... Structural plasticity of SARS-CoV-2 3CL Mpro active site cavity revealed by room temperature X-ray crystallography... Ion permeation in potassium ion channels... First Experiments New Science Opportunities at the Spallation Neutron Source Second Target Station (abridged)... First Experiments: New Science Opportunities at the Spallation Neutron Source Second Target Station... BraggNet: integrating Bragg peaks using neural networks... Volumetric Segmentation via Neural Networks Improves Neutron Crystallography Data Analysis... Crystallization of a potassium ion channel and X-ray and neutron data collection... The Neutron Macromolecular Crystallography Instruments at Oak Ridge National Laboratory: Advances, Challenges, and Opportunit... Improving the accuracy and resolution of neutron crystallographic data by three-dimensional profile fitting of Bragg peaks in... A suite-level review of the neutron single-crystal diffraction instruments at Oak Ridge National Laboratory... Defining the Specificity of Carbohydrate–Protein Interactions by Quantifying Functional Group Contributions... Understanding the pH-Dependent Reaction Mechanism of a Glycoside Hydrolase Using High-Resolution X-ray and Neutron Crystallog... Substrate Binding Induces Conformational Changes in a Class A β-lactamase That Prime It for Catalysis... Substrate Binding Induces Conformational Changes in a Class A β-lactamase That Prime It for Catalysis Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Reveale... Neutron and Atomic Resolution X-ray Structures of a Lytic Polysaccharide Monooxygenase Reveal Copper-Mediated Dioxygen Bindin... Pagination First page « First Previous page ‹‹ Page 1 Current page 2 Page 3 Next page ›› Last page Last » Key Links Google Scholar ORCID Second Target Station Pittsburgh Diffraction Society Google Scholar