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Complex macrocycle exploration: parallel, heuristic, and constraint-based conformer generation using ForceGen

Crossref DOI link: https://doi.org/10.1007/s10822-019-00203-1

Published Online: 2019-05-03

Published Print: 2019-06

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Jain, Ajay N. https://orcid.org/0000-0003-4641-8501
Cleves, Ann E.

Gao, Qi

Wang, Xiao

Liu, Yizhou

Sherer, Edward C.

Reibarkh, Mikhail Y.
License Information

Text and Data Mining valid from 2019-05-03
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Article History

Received: 12 February 2019

Accepted: 20 April 2019

First Online: 3 May 2019

Compliance with ethical standards

:

: Drs. Jain and Cleves have a financial interest in BioPharmics LLC, a biotechnology company whose main focus is in the development of methods for computational modeling in drug discovery.