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Density functional theory calculations of large systems: Interplay between fragments, observables, and computational complexity - Dawson - 2022 - WIREs Computational Molecular Science - Wiley Online Library
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T cell receptor therapeutics: immunological targeting of the intracellular cancer proteome | Nature Reviews Drug Discovery
Discovery of Novel Adenosine Receptor Antagonists through a Combined Structure- and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding Mode | Journal of Chemical Information and Modeling
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Two-photon frequency comb spectroscopy of atomic hydrogen | Science
Polyoxometalate-Based Metal Organic Frameworks (POMOFs): Structural Trends, Energetics, and High Electrocatalytic Efficiency for Hydrogen Evolution Reaction | Journal of the American Chemical Society
Pharmaceutics | Free Full-Text | A Guide to In Silico Drug Design
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