Year of publication
Type of media
Subject
Type of material
Language
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Modelling Flexible Protein-Ligand Binding in p38α MAP Kinase using the QUBE Force Field
Free accessChemRxiv | 2019| -
QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics
Free accessChemRxiv | 2019| -
Harmonic Force Constants for Molecular Mechanics Force Fields via Hessian Matrix Projection
American Chemical Society | 2018| -
Modelling flexible protein–ligand binding in p38α MAP kinase using the QUBE force field
Royal Society of Chemistry | 2019| -
Best Practices for a Future Open Code Policy: Experiences and Vision of the Astrophysics Source Code Library
Free accessArXiv | 2018| -
QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics
American Chemical Society | 2019|