Contact Points
General Requirements:
Annual license with unlimited seats to help with Pharmacophore-based modeling/analysis and assist in performing virtual screening experiments. This software is needed to aid NCATS’ chemists with comparing their synthesized small molecules using NCATS generated biological data for their effectiveness and suggest novel SAR design based on the information obtained.
Specific Requirements:
The vendor shall be responsible to provide the licenses that fulfill the following requirements:
Structure-based 3D Molecular Design
• Automatic interpretation of PDB ligands using geometry, dictionaries and rules
• State-of-the-art user interface with advanced 3D graphics and undo-function
• 2D view and hierarchical view directly linked to 3D interface
• Fast alignment of molecules in their bio-active conformation to other molecules and 3D pharmacophores from several ligands and/or pharmacophores, shared feature pharmacophores can be derived to understand and model the relevant mode of action
• Advanced handling of co-factors, ions, water molecules and covalently bound ligand
• Extensive parameter control for more experienced users
• Advanced PDB ligand perception and easy manual correction while modeling in the active site
• Ability to treat co-factors and water molecules as part of the ligand or part of the macromolecule
• Intuitive pharmacophore-based alignment of molecules
• Support for most common file formats
• Sophisticated file and repository management of edited and stored binding sites, molecules and pharmacophores
• Smart enumeration of tautomers
Accurate and Fast Virtual Screening
• High performance accurate virtual screening with automated analysis of screening performance using ROC curves and enrichment factor calculations
• Simple workflows for boolean combination of target and anti-target pharmacophore models
• Easy to use implementation of AutoDock 4.2 and AutoDock Vina
• Accurate implementation of the MMFF94 force field for generating high quality geometries
Ligand-based Pharmacophore Design
• Ligand-based pharmacophore modeling, including automatic classification of chemical features, feature weights and generation of exclusion volume spheres
• Automated training set selection by pharmacophore-based cluster analysis
Period of Performance:
12 months (09/18/2021 – 09/17/2022)
Quoter Terms and Conditions (To be completed by the Offeror):
- Period of Performance OR Delivery Date After Receipt of Order:
- Shipping Point (F.O.B. OR Destination):
- Payment Discount Terms:
- NIH BPA Number
- DUNS No:
- Name of Company:
- Street Address, City, State, Zip code:
- Name of Person Authorized to Provide Quote:
- Telephone Number and Email Address of Person Authorized to Provide Quote:
Contract Type:
A Fixed-Price type of Purchase Order award not exceeding the Simplified Acquisition Threshold is anticipated for any contract resulting from this requirement. The anticipated award date is September 13, 2021.
ADDITIONAL TERMS AND CONDITIONS, PROVISIONS, AND REPRESENTATIONS
The FAR Clauses are incorporated by reference and are provided in full text at https://www.acquisition.gov/
- The provisions of FAR Clause 52.212-1 Instructions to Offerors—Commercial Items (Jul 2021) is applicable to this solicitation.
- The provisions of FAR Clause 52.212.2 Evaluation—Commercial Items (Oct 2014) is applicable to this solicitation. The Government will evaluate quotations or offers in accordance with FAR 13.106-2 and award a purchase order from this solicitation to the responsible offeror whose quote conforming to the solicitation will be most advantageous to the Government, price and other factors considered. The following factors shall be used to evaluate quotes:
- Technical capability of the item offered to meet the Government requirement;
- Price; and
- Past performance [see FAR 13.106-2(b)(3)].
- The provisions of FAR Clause 52.212-3, Offeror Representations and Certifications—Commercial Items (Feb 2021), is applicable to this solicitation.
- The provisions of FAR Clause 52.212-4, Contract Terms and Conditions—Commercial Items (OCT 2018) with Addenda: Stop Work Order, FAR Clause 52.242-15 (August 1989) is applicable to this solicitation.
- The provisions of FAR clause at 52.212-5, Contract Terms and Conditions Required to Implement Statutes or Executive Orders—Commercial Items (Jul 2021) is applicable to this solicitation: See attached
In addition, the following FAR provisions and clauses are applicable to this solicitation and incorporated by reference:
52.204-7 System for Award Management (Oct 2018),
52.204-13 System for Award Management Maintenance (Oct 2018),
52.204-16 Commercial and Government Entity Code Reporting (Aug 2020),
52.204-18 Commercial and Government Entity Code Maintenance (Aug 2020).
The following provisions and clauses apply to this acquisition and are incorporated as an attachment. Offerors MUST complete the provisions at 52.204-24 and 52.204-26 and submit a completed copy as a separate document with their quotation.
- FAR 52.204-24, Representation Regarding Certain Telecommunications and Video Surveillance Services or Equipment (Oct 2020)
- FAR 52.204-26, Covered Telecommunications Equipment or Services-Representation (Oct 2020)
- NIH Invoice and Payment Provisions (2/2021)
SUMMARY STATEMENT:
Responses to this notice must include sufficient information to establish the interested parties’ bona-fide capabilities of providing the product or service. The response shall include: the unit price, list price, shipping and handling costs, delivery days after contract award, delivery terms, prompt payment discount terms, F.O.B. Point (Destination or Origin), product or catalog number(s); product description; and any other information or factors that may be considered in the award decision. Such factors may include: past performance; special features required for effective program performance; trade-in considerations; probable life of the item selected as compared with that of a comparable item; warranty considerations; maintenance availability; and environmental and energy efficiency considerations.
Interested parties may identify in writing their interest and capability in response to this requirement. Responses to this notice shall contain sufficient information to establish the interested parties’ bona-fide capabilities for fulfilling the requirement and include: unit price, list price, shipping and handling costs, the delivery period after contract award, the prompt payment discount terms, the F.O.B. Point (Destination or Origin), the Dun & Bradstreet Number (DUNS), the Taxpayer Identification Number (TIN), and the certification of business size. All offerors must have an active registration in the System for Award Management (SAM) www.sam.gov.
All responses must be received by closing date and must reference the announcement. Responses may be submitted electronically to the attention of the contract specialist. Fax responses will not be accepted.
All responsible sources may submit a bid, proposal, or quotation which shall be considered by the agency.