Updated citation in README and documentation

anandojha · Dec 21, 2023 · f3f5f4c · f3f5f4c
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diff --git a/README.md b/README.md
@@ -85,11 +85,11 @@ this project by providing feedback, bug reports, or other comments.
 
 If you use qmrebind, please cite the following paper:
 
-* Ojha AA, Votapka L, Amaro R. QMrebind: Incorporating quantum mechanical 
+* Ojha AA, Votapka LW, Amaro RE. QMrebind: incorporating quantum mechanical 
 force field reparameterization at the ligand binding site for improved 
-drug-target kinetics through milestoning simulations. ChemRxiv. Cambridge: 
-Cambridge Open Engage; 2023; This content is a preprint and has not been 
-peer-reviewed.
+drug-target kinetics through milestoning simulations. Chem Sci. 
+2023 Oct 24;14(45):13159-13175. doi: 10.1039/d3sc04195f. 
+PMID: 38023523; PMCID: PMC10664576.
 
 ### Copyright
 

diff --git a/docs/index.rst b/docs/index.rst
@@ -31,7 +31,7 @@ Cite QMrebind
 
 If you wish to cite QMrebind, please cite the following paper:
 
-* Ojha AA, Votapka L, Amaro R. QMrebind: Incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations. ChemRxiv. Cambridge: Cambridge Open Engage; 2023; This content is a preprint and has not been peer-reviewed.
+* Ojha AA, Votapka LW, Amaro RE. QMrebind: incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations. Chem Sci. 2023 Oct 24;14(45):13159-13175. doi: 10.1039/d3sc04195f. PMID: 38023523; PMCID: PMC10664576.
 
 
 Getting Involved

diff --git a/qmrebind/transfer_charges.py b/qmrebind/transfer_charges.py