Journal of Chemical Theory and Computation

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Journal of Chemical Theory and Computation Journal

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Lipid II Binding and Transmembrane Properties of Various Antimicrobial Lanthipeptides. 18:516-525. 2022
GLIMPS: A Machine Learning Approach to Resolution Transformation for Multiscale Modeling. 17:7930-7937. 2021
Long timestep molecular dynamics on the graphical processing unit. 9:3267-3281. 2013
Level-Set Variational Implicit-Solvent Modeling of Biomolecules with the Coulomb-Field Approximation. 8:386-397. 2012
Hydrogen abstraction acetylene addition and Diels-Alder mechanisms of PAH formation: A detailed study using first principles calculations. 1:908-924.

International Standard Serial Number (ISSN)

1549-9618

Electronic International Standard Serial Number (EISSN)

1549-9626