UKABCS Capacity Building Grants 2026 — Professional Diploma in Computational Chemistry

In light of the profound transformations currently shaping global academia and research, it has become clear that the future of science increasingly depends on the integration of Artificial Intelligence (AI) and computational technologies across all disciplines. Research is no longer confined to traditional laboratories or costly experiments; every researcher, university, and faculty must now acquire the computational skillset necessary to accurately interpret results, analyze data, and enhance scientific output.

Against this backdrop, the UK Association for Biotechnology and Computational Science (UKABCS) is proud to launch its Capacity Building Grants, enabling universities and research institutions worldwide to participate in the Professional Diploma in Computational Chemistry 2026. This initiative represents a strategic step towards empowering researchers and cultivating a new generation capable of contributing competitively on the global stage.

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Vision of UKABCS

Through this initiative, UKABCS seeks to strengthen institutional academic and research capacity at the international level, foster cross-border scientific collaboration, and empower researchers across diverse disciplines.

This programme is not merely designed to provide technical training in computational chemistry and drug design; rather, it aims to embed a new academic culture within universities and scientific communities, where computational methods become a natural extension of research across all disciplines. The Association’s vision is built upon:

• Embedding computational approaches as a core element of research across all disciplines.
• Creating a sustainable academic environment that supports innovation and accelerates discovery.
• Enhancing international collaboration between universities and researchers across the Global North and South.
• Enabling non-profit organizations and scientific societies to benefit from the programme, ensuring inclusivity.
• Improving the quality of scientific research outputs, positioning universities as globally competitive institutions.

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Programme Benefits & Objectives

This programme represents a strategic investment in strengthening the research and academic capacity of institutions. It does not only equip researchers with technical skills, but also ensures the sustainable transfer of knowledge at the institutional level. Through this model, universities are empowered to develop their research teams and achieve measurable outcomes that enhance their reputation both locally and internationally. Key benefits include:

• Enhancing research quality: Improving the accuracy of scientific interpretation and analysis.
• Reducing costs: Minimising reliance on costly laboratory experiments and material resources.
• Accelerating discoveries: Shortening the research cycle from concept to publication.
• Institutional empowerment: Embedding computational expertise as a core capacity within universities.
• Global integration: Enabling researchers to actively engage with international scientific networks.
• Fostering sustainability: Building a new generation of academics equipped with advanced tools to sustain innovation and scientific productivity.

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Grant Coverage & Itemized Budget

The programme is designed to provide full financial coverage for all core educational and research activities, ensuring that universities and researchers incur no hidden costs. The UK Association for Biotechnology and Computational Science (UKABCS) manages the grant and transfers funds directly to the implementing partners in line with UKRI standards for transparency and accountability.

The coverage includes:

1. Comprehensive academic training delivered through 14 integrated modules.
2. Digital and research infrastructure to support participating teams.
3. Article Processing Charges (APC) for accepted research papers in international conferences and journals.
4. Fees for poster presentations at international conferences.
5. Accredited professional diplomas and certificates issued to all participants.

Itemized Budget Per Participating Institution

Budget Item	Rate Per Team	Number of Teams	Total Subtotal	Coverage Status
Training & Infrastructure	£4,400	5 Teams (50 Researchers)	£22,000	Fully Covered by Grant
Conference Paper (APC)	£1,500	5 Papers	£7,500	Fully Covered by Grant
Poster Presentation	£500	5 Posters	£2,500	Fully Covered by Grant
Total Grant Award	£6,400	5 Teams	£32,000	100% Fully Covered

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Administrative Fees, Waiver Policy & Post-Award Procedures

Administrative Fees

In addition to the £32,000 fully covered grant, each participating researcher is required to pay a symbolic, one-time administrative fee. This fee is entirely separate from the grant value and is not transferred to UKABCS. Instead, it is paid directly to the implementing company and used exclusively to cover the operational and technical costs of programme delivery:

• £100 (one hundred GBP) for researchers from developed countries.
• £50 (fifty GBP) for researchers from developing countries.

Administrative fee principles:

• Payable by the individual researcher, not by the university.
• Paid once only at the start of participation, with no repeat charges.
• Non-refundable, even in cases of withdrawal. If a replacement researcher is nominated, the same fee applies to the new participant.
• Paid directly to the implementing company, not to UKABCS.
• Allocated to cover: platform hosting, technical support, user security, data protection, UKRI-aligned audit reporting, and official certification (both digital and watermarked printed physical certificates delivered by post).

Waiver Policy

To uphold research equity and ensure fair access, UKABCS has introduced a graduated waiver policy for administrative fees to support institutions in developing countries:

• No full (100%) waiver is available.
• Eligible waiver tiers: 25%, 50%, or 75% of the administrative fee.
• Waiver requests must be submitted by the institution (university or research centre) via an official letter outlining justification and institutional financial circumstances.
• Applications are evaluated against clear, published criteria prior to programme delivery.

Programme Procedures Post-Award

1. Selection Window: Awarded institutions receive one month post-award to conduct internal selection and nominate their final team of 50 researchers (5 teams × 10 researchers).
2. Waiver Processing: Institutional waiver requests must be submitted formally within this one-month period.
3. Execution Instruction: Following approval of final participant rosters, UKABCS formally instructs the implementing company to initiate programme delivery.
4. Replacements: If a participant withdraws, the institution is responsible for immediate replacement to maintain full team rosters.

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Academic Content — 14 Integrated Modules

The programme’s academic curriculum provides both theoretical grounding and hands-on computational execution:

1. Introduction to Drug Discovery (Drug Design & CADD): Computer-aided drug design, cost-reduction pipelines, and molecular modeling foundations.
2. Cheminformatics Databases & File Formats: Chemical data curation, SMILES, SDF, PDB, and database interoperability.
3. Protein Structure Prediction & Analysis: AlphaFold, homology modeling, and 3D structural evaluation.
4. Protein Alignment & Phylogenetics: Sequence alignment tools, evolutionary divergence, and conservation scoring.
5. Gene Prediction & Protein–Protein Interaction: Identification pipelines, STRING interaction networks, and multi-target drug discovery.
6. ADME/Tox Prediction & Personalized Medicine: Pharmacokinetics modeling, in silico toxicity testing, and inter-individual drug variation.
7. Pharmacophore Modeling & Virtual Screening: Ligand-based and structure-based pharmacophore generation and database screening.
8. 3D-QSAR & Lead Optimization: Structure-activity relationships, CoMFA/CoMSIA principles, and lead candidate refinement.
9. Structural Interaction Fingerprint Analysis: Non-covalent interaction patterns, hydrogen bonding networks, and binding profiles.
10. Molecular Docking & Screening: AutoDock Vina, binding energy calculation, and scoring function analysis.
11. Quantum Calculations (DFT): Density functional theory, frontier molecular orbitals (HOMO-LUMO), and electrostatic potential surfaces.
12. Molecular Dynamics Simulation: GROMACS/NAMD execution, RMSD/RMSF trajectories, and binding stability analysis.
13. Google Colab Integration & Cloud-Based Analysis: Cloud-based GPU acceleration and zero-cost high-performance computing setups.
14. Scientific Writing & Poster Presentation: Publishing in indexed journals, peer review response strategies, and conference poster design.

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Monitoring, Evaluation & Governance

• Weekly Progress Meetings: Research teams meet weekly with academic mentors to ensure continuous milestone tracking.
• Quarterly Reviews: Held every three months with UKABCS and technical directors to evaluate progress against KPIs.
• Compliance Standards: Full adherence to UKRI Policy and Guidelines on the Governance of Good Research Conduct, UK Data Protection Act (2018), and UK GDPR.
• Outputs Verification: At least one paper per team in the official UKABCS journal (IJBTCS) and presentation of certified posters at the annual UKABCS International Conference in London.

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Application Timeline & Submission Details

• Application Window: 1 October 2025 to 1 November 2025 (Current Round Closed)
• Selected Cohort Announcement: 15 November 2025
• Official Inquiries: [email protected]
• Submission Portal: UKABCS Capacity Building Grant Application Form