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Molecules (Basel, Switzerland)|January 16, 2021
Near-Ultraviolet Circular Dichroism and Two-Dimensional Spectroscopy of PolypeptidesFrancesco Segatta, David M Rogers, Naomi T Dyer, et al.Journal of Molecular Biology|July 6, 2015
Catalytic Role of the Substrate Defines Specificity of Therapeutic l-AsparaginaseAndriy Anishkin, Juan M Vanegas, David M Rogers, et al.Nanoscale|December 22, 2010
Quantifying signal changes in nano-wire based biosensorsLuca De Vico, Martin H Sørensen, Lars Iversen, et al.Computing in Science & Engineering|August 8, 2022
Supercomputing Pipelines Search for Therapeutics Against COVID-19Josh Vincent Vermaas, Ada Sedova, Matthew B Baker, et al.Journal of Chemical Information and Modeling|December 26, 2025
Chemprop v2: An Efficient, Modular Machine Learning Package for Chemical Property PredictionDavid E Graff, Nathan K Morgan, Jackson W Burns, et al.Scientific Data|March 28, 2023
SARS-CoV2 billion-compound dockingDavid M Rogers, Rupesh Agarwal, Josh V Vermaas, et al.Dalton Transactions (Cambridge, England : 2003)|January 27, 2016
Preorganized tridentate analogues of mixed hydroxyoxime/carboxylate nickel extractantsJames W Roebuck, Jennifer R Turkington, David M Rogers, et al.Biochimica Et Biophysica Acta|July 19, 2016
Method for measuring the unbinding energy of strongly-bound membrane-associated proteinsElisa La Bauve, Briana C Vernon, Dongmei Ye, et al.Biochimica Et Biophysica Acta. Biomembranes|February 16, 2018
Insertion of Dengue E into lipid bilayers studied by neutron reflectivity and molecular dynamics simulationsJuan M Vanegas, Frank Heinrich, David M Rogers, et al.The Journal of Physical Chemistry Letters|August 12, 2025
Challenges and Advances in the Simulation of Targeted Covalent Inhibitors Using Quantum ComputingShayantan Chaudhuri, Bang C Huynh, Ross Amory, et al.Pageof 6