Fueling Drug Discovery

SiBioLead is an online biocomputing platform for computational drug discovery

Stable Tech Stack

We use stable tech stack to process your submissions in 24-72 hours for all high-throughput screening.

Inspiring lead-discovery technology

Our state-of-the-art D-HTVS and Molecular Simulation technology enables you to discover lead molecules with high precision

Safe and Secure

We use high quality authentication system for you to have worry-free submissions.

News & Updates

About Us

Brought to you from a team of scientists and engineers.

SiBioLEAD is a premier bioinformatics Contract Research Organization (CRO) in computational drug discovery. We merge state-of-the-art technology to expedite the development of innovative therapeutics. Our interdisciplinary team, comprising computational chemists, biologists, and data scientists leverage algorithms, computational hardware, and artificial intelligence for pioneering drug discovery.

At SiBioLEAD, precision and efficiency are at the core of our mission. We Specialize in GROMACS based molecular dynamic simulations. We are committed to revolutionizing drug discovery by bridging the gap between computational modeling and experimental validation. Join us on a collaborative journey, where innovation meets impact. Together, we can translate visionary therapies into tangible realities.

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Our inspiring drug-discovery applications


Our ingenious Diversity-based High Throughput Virtual Screening (D-HTVS) technology preloaded with millions of small molecules from sought-after databases, including ChEMBL, ZINC, and ChemBridge libraries, facilitates meticulous and rapid screening to successfully identify target-specific lead molecules.

Exploit our powerful cloud-servers for your rapid virtual screening.

Perform blind or unbiased docking using our SiBDock module with high precision and flexibility.

Molecular Dynamic Simulation Module

One of a kind web-application designed to set up GROMACS based macromolecular-drug bound complex simulations up to one microsecond in a single step.

Toward providing simulation service for a wide range of users, we have numerous afforable pricing plans.

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Client-oriented services

Project-based lead-discovery services for academics and commercial entities using our powerful state-of-the art tools within stipulated time.

Our wide-range of customized services:

  • AI-based Protein structure modeling

  • Flexible Protein-protein interaction modeling

  • GROMACS Molecular Dynamic simulations to elucidate protein and drug dynamics

  • Quantitative Structure Activity Relationship (QSAR)

  • Virtual Kinase Profiling (kinome-wide screening) for target ligands

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Our Team

Meenakshisundaram Balasubramaniam, Ph.D.

Founder & Chief Executive Officer

Phil Williams, Ph.D.

Co-Founder & Chief Technical Officer

Robert J Shmookler Reis, D.Phil.

Co-Founder & Chief Scientific Officer

Kottayil I Varughese, Ph.D.

Scientific Advisor


We offer competitive promotional pricing plans exclusive for our academic users


$0 / month

  • Automated ligand preparation/conformer generation
  • Dock up to 2 molecules per submission
  • PLIP analysis included
  • No Credit Card details needed

Premium Monthly plan

  • Access to our new Diversity-based High throughput virtual screening technology
  • Access to pre-loaded libraries including ChemBridge, ChEMBL, NCI and ZINC compounds
  • Enjoy the fully-automated, hassle-free, Molecular Dynamic Simulation module that performs simulation up to 200 nanoseconds, with extension to MMPBSA-based Gibbs binding free energy calculations


Frequently Asked Questions


Sibiolead modules use established open-source software