About the Authors

Christopher Negron

Roles Conceptualization, Data curation, Investigation, Writing – original draft, Writing – review & editing

Affiliation Schrödinger, New York, New York, United States of America

David A. Pearlman

Roles Software, Supervision, Writing – review & editing

Affiliation Schrödinger, New York, New York, United States of America

Guillermo del Angel

Roles Supervision, Writing – review & editing

Guillermo.delAngel@alexion.com

Affiliation Alexion Pharmaceuticals Inc., Boston, Massachusetts, United States of America

Competing Interests

The authors have the following interests. Schrödinger, Inc. funded this study, provided software and employed the authors, Christopher Negron, and David A. Pearlman. Additionally, Alexion Pharmaceuticals co-funded this study and is the employer of Guillermo del Angel. There are no patents, products in development or marketed products to declare. This does not alter the authors’ adherence to all the PLOS ONE policies on sharing data and materials, as detailed online in the guide for authors.