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The Journal of Chemical Physics
|
June 15, 2015
A multiscale approach to model hydrogen bonding: The case of polyamide
Richard J Gowers, Paola Carbone
Journal of Computational Chemistry
|
March 29, 2014
A multiple time step scheme for multiresolved models of macromolecules
Nicodemo Di Pasquale, Richard J Gowers, Paola Carbone
Journal of Chemical Theory and Computation
|
February 8, 2024
Kartograf: A Geometrically Accurate Atom Mapper for Hybrid-Topology Relative Free Energy Calculations
Benjamin Ries, Irfan Alibay, David W H Swenson, et al.
Journal of Chemical Information and Modeling
|
November 6, 2024
Konnektor: A Framework for Using Graph Theory to Plan Networks for Free Energy Calculations
Benjamin Ries, Richard J Gowers, Hannah M Baumann, et al.
Journal of Chemical Information and Modeling
|
May 21, 2026
Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE
Hannah M Baumann, Joshua T Horton, Michael M Henry, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
June 15, 2015
A multiscale approach to model hydrogen bonding: The case of polyamide
Richard J Gowers, Paola Carbone
Journal of Computational Chemistry
|
March 29, 2014
A multiple time step scheme for multiresolved models of macromolecules
Nicodemo Di Pasquale, Richard J Gowers, Paola Carbone
Journal of Chemical Theory and Computation
|
February 8, 2024
Kartograf: A Geometrically Accurate Atom Mapper for Hybrid-Topology Relative Free Energy Calculations
Benjamin Ries, Irfan Alibay, David W H Swenson, et al.
Journal of Chemical Information and Modeling
|
November 6, 2024
Konnektor: A Framework for Using Graph Theory to Plan Networks for Free Energy Calculations
Benjamin Ries, Richard J Gowers, Hannah M Baumann, et al.
Journal of Chemical Information and Modeling
|
May 21, 2026
Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE
Hannah M Baumann, Joshua T Horton, Michael M Henry, et al.
Page
of 1