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Journal of Chemical Theory and Computation
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August 1, 2024
BAT2: an Open-Source Tool for Flexible, Automated, and Low Cost Absolute Binding Free Energy Calculations
Germano Heinzelmann, David J Huggins, Michael K Gilson
Journal of Chemical Information and Modeling
|
December 1, 2025
Relative BAT: An Automated Tool for Relative Binding Free Energy Calculations by the Separated Topologies Approach
Germano Heinzelmann, David J Huggins, Michael K Gilson
The Journal of Physical Chemistry. B
|
January 3, 2023
Investigating the Solvent Effects on Binding Affinity of PAHs-ExBox<sup>4+</sup> Complexes: An Alchemical Approach
Fábio P S Souza, Germano Heinzelmann, Giovanni F Caramori
The Journal of Biological Chemistry
|
May 9, 2014
Na+ interactions with the neutral amino acid transporter ASCT1
Amanda J Scopelliti, Germano Heinzelmann, Serdar Kuyucak, et al.
Plos One
|
March 20, 2012
Position of the third Na+ site in the aspartate transporter GltPh and the human glutamate transporter, EAAT1
Turgut Bastug, Germano Heinzelmann, Serdar Kuyucak, et al.
Plos One
|
November 19, 2013
A potent and selective peptide blocker of the Kv1.3 channel: prediction from free-energy simulations and experimental confirmation
M Harunur Rashid, Germano Heinzelmann, Redwan Huq, et al.
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of 2
Search research articles
Search
Showing results (11-20 of 16) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 16 results.
Journal of Chemical Theory and Computation
|
August 1, 2024
BAT2: an Open-Source Tool for Flexible, Automated, and Low Cost Absolute Binding Free Energy Calculations
Germano Heinzelmann, David J Huggins, Michael K Gilson
Journal of Chemical Information and Modeling
|
December 1, 2025
Relative BAT: An Automated Tool for Relative Binding Free Energy Calculations by the Separated Topologies Approach
Germano Heinzelmann, David J Huggins, Michael K Gilson
The Journal of Physical Chemistry. B
|
January 3, 2023
Investigating the Solvent Effects on Binding Affinity of PAHs-ExBox<sup>4+</sup> Complexes: An Alchemical Approach
Fábio P S Souza, Germano Heinzelmann, Giovanni F Caramori
The Journal of Biological Chemistry
|
May 9, 2014
Na+ interactions with the neutral amino acid transporter ASCT1
Amanda J Scopelliti, Germano Heinzelmann, Serdar Kuyucak, et al.
Plos One
|
March 20, 2012
Position of the third Na+ site in the aspartate transporter GltPh and the human glutamate transporter, EAAT1
Turgut Bastug, Germano Heinzelmann, Serdar Kuyucak, et al.
Plos One
|
November 19, 2013
A potent and selective peptide blocker of the Kv1.3 channel: prediction from free-energy simulations and experimental confirmation
M Harunur Rashid, Germano Heinzelmann, Redwan Huq, et al.
Page
of 2