DESCRIPTION The U.S. Department of Health and Human Services, National Institutes of Health, National Cancer Institute (NCI), Center for Cancer Research – HIV and AIDS Malignancy Branch plans procure, on a sole source basis, molecular modeling discover suite software licensing from Schrodinger, LLC, 101 SW Main Street, Suite 1300, Portland, OR 97204, Phone: 503-299-1150. The response close date of the notice for this requirement is in accordance with FAR 5.203(a)(1). This acquisition will be processed under FAR Part 12 – Acquisition for Commercial Items and will be made pursuant to the authority in FAR Part 13.106-1(b)(2); and, is exempt from the requirements of FAR Part 6. The North American Industry Classification System code is 511210 and the business size standard is $41.5 million. Only one award will be made as a result of this solicitation. The anticipated award shall be a firm fixed price type contract. It has been determined there are no opportunities to acquire green products or services for this procurement. BACKGROUND The HIV and AIDS Malignancy Branch (HAMB) of the CCR, NCI, carries out research projects that include the design, synthesis and development of the next-generation of therapeutic agents against HIV and HIV-associated malignancies. Currently, the branch is also heavily involved in understanding the biology of important viral proteins of SARS-CoVID-19 and in discovering and developing a therapeutic intervention. As part of these research projects, use of a state-of-the-art molecular modeling software is critically needed. The software provides tools to carry out advanced molecular modeling simulations of critical importance to the HIV and AIDS Malignancy Branch, NCI and the NIH Community. PRODUCT FEATURES/SALIENT CHARACTERISTICS The software provides all of the following functionalities: (1) a powerful and innovative software application for accurate protein structure predictions; (2) a fully-integrated protein structure program that provides an easy-to-use interface that takes a novice user intuitively from sequence to alignment to refined structure; (3) the ability to provide the expert user complete control over calculational settings to maximize accuracy of predictions; (4) a powerful and complete tool for generating accurate receptor models for structure-based drug design; (5) the ability to combine leading force fields, accurate effective solvation models, and advanced conformational searching methods that provide the most complete molecular modeling package suitable for a wide array of research; (6) a complete solution for ligand-receptor docking which provides the full spectrum of speed and accuracy from high-throughput virtual screening of millions of compounds to extremely accurate binding mode predictions with consistently high enrichment at every level; and (7) the ability of the software products to work with each other to simulate receptor flexibility in response to ligand-binding events. This notice is not a request for competitive quotation. However, if any interested party, especially small business believes it can meet the above requirement, it may submit a proposal or quote for the Government to consider. The response and any other information furnished must be in writing and must contain material in sufficient detail to allow NCI to determine if the party can perform the requirement. Responses must be received in the contracting office by 5:00 PM EST, on June 29, 2020. All responses and questions must be via email to Contracting Officer, Lisa Hill at
[email protected]. A determination by the Government not to compete this proposed requirement based upon responses to this notice is solely within the discretion of the Government. Information received will be considered solely for the purpose of determining whether to conduct a competitive procurement. In order to receive an award, Contractors must be registered and have valid certification through SAM.GOV and have completed Representations and Certifications. Reference: RFQ75N91020Q00097 on all correspondence.