Nonalcoholic Steatohepatitis: A Proposal for Grading and Staging The Histological Lesions
We propose a grading and staging system that reflects the unique histological features of nonalcoholic steatohepatitis.
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825 publications
Nanomaterials with enzyme-like characteristics (nanozymes): next-generation artificial enzymes (II)
An updated comprehensive review to help researchers understand nanozymes better and in turn to advance the field.
The Approximation of One Matrix by Another of Lower Rank
The mathematical problem of approximating one matrix by another of lower rank is closely related to the fundamental postulate of factor-theory. When formulated as a least-square...
PubChem in 2021: new data content and improved web interfaces
Abstract PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical information resource that serves the scientific community as well as the general public, with millions ...
Density-functional thermochemistry. I. The effect of the exchange-only gradient correction
Previous work by the author on diatomic molecules and by others on polyatomic systems has revealed that Kohn–Sham density-functional theory with ‘‘gradient corrected’’ exchange-...
Software update: The <scp>ORCA</scp> program system—Version 5.0
Abstract Version 5.0 of the ORCA quantum chemistry program suite was released in July 2021. ORCA 5.0 represents a major improvement over all previous versions of ORCA and featur...
Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism
The aim of this paper is to advocate the usefulness of the spin-density-functional (SDF) formalism. The generalization of the Hohenberg-Kohn-Sham scheme to and SDF formalism is ...
GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
An extended semiempirical tight-binding model is presented, which is primarily designed for the fast calculation of structures and noncovalent interaction energies for molecular...
Planck 2018 results. VI. Cosmological parameters
We present cosmological parameter results from the final full-mission Planck\nmeasurements of the CMB anisotropies. We find good consistency with the\nstandard spatially-flat 6-...
SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules
Abstract SwissTargetPrediction is a web tool, on-line since 2014, that aims to predict the most probable protein targets of small molecules. Predictions are based on the similar...
Cancer treatment and survivorship statistics, 2022
Abstract The number of cancer survivors continues to increase in the United States due to the growth and aging of the population as well as advances in early detection and treat...
Crystal Structure and Pair Potentials: A Molecular-Dynamics Study
With use of a Lagrangian which allows for the variation of the shape and size of the periodically repeating molecular-dynamics cell, it is shown that different pair potentials l...