Germano Heinzelmann

6PUBLICATIONS
5CO-AUTHORS
Bioinformatic methods developmentAutomated software engineeringEnvironmental biogeochemistryComputational chemistryBiomolecular modelling and design
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Publications (6)

|Dec 01, 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

|Aug 01, 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

|Jan 03, 2023
Investigating the Solvent Effects on Binding Affinity of PAHs-ExBox4+ Complexes: An Alchemical Approach.

Fábio P S Souza, Germano Heinzelmann, Giovanni F Caramori

|Dec 22, 2018
Shedding Light on the Hydrolysis Mechanism of cis, trans-[Ru(dmso)4Cl2] Complexes and Their Interactions with DNA-A Computational Perspective.

Karla F Andriani, Germano Heinzelmann, Giovanni F Caramori

|Jun 01, 2017
Attach-Pull-Release Calculations of Ligand Binding and Conformational Changes on the First BRD4 Bromodomain.

Germano Heinzelmann, Niel M Henriksen, Michael K Gilson

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Frequent Collaborators

4 joint publications

Michael K Gilson

2 joint publications

Giovanni F Caramori

1 joint publications

Niel M Henriksen

1 joint publications

Fábio P S Souza