Table Info

Table 2.

PIPER results of dimerized cancer HER2/ERBB2 structure (PDB ID 3WLW) showing stable dimer values (using Schrödinger Release 2023-4: BioLuminate, Schrödinger, LLC, New York, NY, 2023)

Title	PIPER pose energy	PIPER pose score	PIPER model number	PIPER cluster size
POSE1	–1,238.94	–192.131	50	93
POSE2	–1,099.976	–481.194	251	90
POSE3	–1,075.053	90.941	341	77
POSE4	–1,234.521	288.706	53	51
POSE5	–967.27	–65.814	969	50
POSE6	–1,162.564	–34.34	139	45
POSE7	–1,132.691	–130.897	187	40
POSE8	–965.985	–119.112	984	35
POSE9	–1,156.086	307.185	141	33
POSE10	–1,212.369	–80.513	73	32
POSE11	–1,083.691	–10.777	297	32
POSE12	–974.888	43.566	899	32
POSE13	–1,006.026	–18.822	683	31
POSE14	–1,041.641	142.197	479	29
POSE15	–1,041.1	61.322	483	24

Supplementary materials

The supplementary figures for this article are available at: https://www.explorationpub.com/uploads/Article/file/1001237_sup_1.pdf.

Declarations

Acknowledgments

We thank Hybrinomics Life Science & Diagnostics LLP, for their willingness to allow public access to their web services, particularly Schrödinger software.

Author contributions

JS: Methodology, Investigation, Writing—original draft. PM: Conceptualization, Methodology, Investigation, Supervision, Writing—review & editing. HV: Formal analysis, Writing—review & editing. All authors read and approved the submitted version.

Conflicts of interest

The authors declare that they have no conflicts of interest.

Ethical approval

Not applicable.

Consent to participate

Not applicable.

Consent to publication

Not applicable.

Availability of data and materials

The raw data supporting the conclusions of this manuscript will be made available by the authors, without undue reservation, to any qualified researcher.

Funding

Not applicable.

Copyright

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