Conferences & posters

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Poster presentation · IPC 2025

SilicoScientia at IPC 2025

We presented our poster at IPC 2025, highlighting SilicoXplore — an integrated AI- and physics-driven in silico drug discovery platform that unifies virtual screening, activity prediction, toxicity assessment, and lead optimization into a single workflow for faster, cost-effective, data-driven early drug discovery.

The featured case study applied the full pipeline to EGFR-targeted glioblastoma treatment — narrowing millions of compounds down to a shortlist of promising EGFR-targeting candidates.

Virtual screening Activity prediction Toxicity assessment Lead optimization

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Workshops & seminars

Workshop · 6–7 Aug 2025

2-day hands-on workshop · Ramaiah University

A focused, interactive training on SilicoXplore — our end-to-end, cloud-based platform for drug development — with the Faculty of Pharmacy at Ramaiah University of Applied Sciences, Bengaluru.

Participants explored the foundations of AI in drug discovery, the role of SilicoXplore across the pipeline, real-time hands-on sessions with expert mentoring, and in-depth Q&A with the SilicoScientia team.

AI in drug discovery Full pipeline Hands-on sessions Expert Q&A

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Workshop · 3-day hands-on

AI in Computational Drug Discovery · Bharati Vidyapeeth

SilicoScientia served as the resource team for a 3-day hands-on workshop on Artificial Intelligence in Computational Drug Discovery at the Rajeev Gandhi Institute of IT and Biotechnology, Bharati Vidyapeeth (Deemed to be University), Pune.

Sessions spanned the foundations of AI in drug discovery, real-world use cases, hands-on work across the SilicoXplore pipeline, and in-depth discussion and Q&A with the SilicoScientia team.

AI in drug discovery Real-world use cases Hands-on sessions Discussion & Q&A

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Seminar · 17 Feb 2026

International Seminar & Experimental Training Program · Nagpur

An international seminar and experimental training program introducing SilicoXplore — our AI-driven drug discovery platform — at Nagpur College of Pharmacy, Nagpur.

Expert insights and discussions on advancements in computational drug discovery, delivered by the SilicoScientia team.

Intro to SilicoXplore AI drug discovery Experimental training Expert discussion

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Publications · 4 papers

1. 
   International Journal of Molecular Sciences · 2026

   Identification of GPI-Anchored Wall Transfer Protein 1 Modulators for Fungal Infections Through Generative AI and Physics-Based Approaches

   Ibrahim A. Alsarra, Rupesh Chikhale, Abdullah M. Al-Mohizea, Md Ataul Islam

   doi.org/10.3390/ijms27114767
2. 
   Scientific Reports · 2026

   Identification of potential MenT3 inhibitors for Mycobacterium tuberculosis using the generative artificial intelligence and SilicoXplore platform

   Ibrahim A. Alsarra, Vikramsinh Sardarsinh Suryawanshi, Abdullah M. Al-Mohizea, Pritee Chunarkar Patil, Rupesh Chikhale, Md Ataul Islam

   doi.org/10.1038/s41598-026-49174-y
3. 
   Journal of Molecular Graphics and Modelling · 2026

   Applying artificial intelligence and machine learning framework for de novo design of pyrazole-based VEGFR-2 inhibitors

   Deepali M. Wanode, Md Ataul Islam, Kumud P. Bhendarkar, Megha P. Ambatkar, Pramod B. Khedekar, Rupesh Chikhale

   doi.org/10.1016/j.jmgm.2026.109458
4. 
   Computational Biology and Chemistry · 2026

   Free energy perturbation-assisted identification of checkpoint kinase 1 targeted small-molecule inhibitors for cancer therapy using AI- and physics-driven molecular design

   Md Ataul Islam, Mohammad Ajmal Ali, Rupesh Chikhale, Md Lutful Islam, Saikh Mohammad Wabaidur

   doi.org/10.1016/j.compbiolchem.2026.109203