FullySigned_REVISED SSJ_1158380.pdf

United States Department of Agriculture Limited Source/Brand Name Justification

FAR 13.106-1(b)(1) – Simplified Acquisitions

1. Identification of the agency and the contracting activity.

1a. Requesting Activity Agency: USDA-ARS-SRRC 1b. Contracting Activity: USDA, ARS, APD, Acquisition

2. Description of supply or service required to meet the agency’s needs.

Molecular Operating Environment (MOE) software platform which integrates visualization, modeling and simulations, as well as methodology development. Base year plus up to 4 option years.

3. The rationale or circumstances for limiting competition.

MOE uses 3D molecular visualization to discover how proteins, ligands, antibodies and biologics interact. Protein modeling and molecular simulations are used to analyze protein-protein, protein-enzyme, protein-allergen, and protein-antibody complexes. The modeling, simulation, and prediction tools included guide the development, isolation, and characterization of bioactive compounds and novel bioactive therapeutic foods. Chemical Computer Group is the sole manufacturer of this software, and no other software package provides the same characteristics. In addition, we have used this software for 5 years and previous results would not be accessible through another software package. A different software package would require time-consuming retraining of research personnel, resulting in delays and additional expense, as well as lost information from prior research results due to incompatibility.

4. A description of the market research conducted and the results or a statement of the reason market research was not conducted.

Molecular modeling and simulation software options from sources including Schrodinger, Ediogen, Selvita, and Chemical Computing Group (CCG) have been evaluated. Molecular Operating Environment (MOE) software from Chemical Computing Group (CCG) is the industry leader in protein modeling software, and provides an all-inclusive software development package including licensing, training, customization, collaboration, support and services. MOE provides all the necessary molecular modeling needs for food allergen research including active site visualization, ligand modification/optimization, virtual library enumeration, descriptor calculations, small molecule alignments, solvent and conformational analysis, homology modeling, antibody modeling, disulfide and alanine scanning, mutational analysis, protein docking, molecular simulations, quantum calculations. MOE provides the ability to efficiently adapt to the future needs and growing expertise of research scientists. CCG provides continuous improvement and is the industry leader in collaborative customer support.

The quality of the MOE software, the comprehensive nature of the package, and access to a team of industry-leading support scientists all for one price that is heavily discounted for governmental labs far surpasses any of the other packages. MOE has been utilized for several years on multiple projects and conversion to a new software platform would lead to research delays, lost information due to incompatibilities, and require time consuming retraining of research personnel.

Research at spending.gov shows multiple prior purchases of MOE software, all purchased on a sole source basis directly from CCG. The precursor purchase order for the MOE software that just lapsed is 12405B20P0449. That solicitation returned two quotes, but one was not even close to meeting the requirement.

5. Estimated price, including all options, if applicable.

Base year 9/1/2025-8/31/2026: $30,850.00 Option year 1 9/1/2026-8/31/2027: $31,950.00 Option year 2 9/1/27-8/31/28: $33,050.00 Option year 3 9/1/28-8/31/29: $34,200.00 Option year 4 9/1/29-8/31/30: $35,400.00 Total value of contract - 9/1/2025-8/31/30: $165,450

6. Recommended source(s).

Chemical Computer Group, ULC

Certifications

Supporting data that is the responsibility of technical or requirements personnel and which form the basis for this justification are accurate and complete to the best of my knowledge.

Chris Mattison, Lead Scientist

The information contained in this justification is accurate and complete to the best of my knowledge and belief and in accordance with Federal Acquisition Regulation 13.106-1(b)(1), I hereby determine the circumstances described above deem only one source, or limited sources, reasonably available and competition is precluded for the reasons indicated in this document.

Nicole McKenzie Contracting Officer