Leighton Coates STS Instrument Systems Manager Contact 865.574.4620 | COATESL@ORNL.GOV All Publications Structural plasticity of the selectivity filter in a nonselective ion channel... Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase Direct Observation of Protonation State Modulation in SARS-CoV-2 Main Protease upon Inhibitor Binding with Neutron Crystallography 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 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 Unusual zwitterionic catalytic site of SARS–CoV-2 main protease revealed by neutron crystallography... Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: insights into enzyme mechanism and drug design 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 Crystallization of a potassium ion channel and X-ray and neutron data collection Volumetric Segmentation via Neural Networks Improves Neutron Crystallography Data Analysis The Neutron Macromolecular Crystallography Instruments at 91°µÍø: Advances, Challenges, and Opportunities 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 91°µÍø 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 Crystallography Substrate Binding Induces Conformational Changes in a Class A β-lactamase That Prime It for Catalysis Pagination First page « First Previous page ‹â¶Ä¹ Page 1 Current page 2 Page 3 Next page ›â¶Äº Last page Last » Key Links
