MD.USE Innovative Solutions

Name

MD.USE Innovative Solutions

Legal name

MD. USE INNOVATIONS, S.L.

Website

https://mduse.com

Company type

Private

Founded year

2015

Operating status

Operating

Headcount range

1–10 employees

Ownership category

akta.pro rank

Product category

Scientific Computing Software

NAICS

Software Publishers (5132), Scientific Research and Development Services (5417)

SIC

Services-Prepackaged Software (7372), Services-Commercial Physical & Biological Research (8731)

akta.pro primary industry

Cheminformatics & Molecular Modeling / CADD (HLAGAJAE)

akta.pro secondary industry

Formulation & Preclinical CMC Support (Nonclinical) (HLAGAFAL)

Keywords

• Molecular dynamics simulation
• Scientific computing software
• Computational chemistry services
• Molecular visualization AR/VR
• Cyclodextrin modeling software

Headquarters

HQ city

Santiago De Compostela

HQ country

Spain

HQ region

Europe

Offices1 record

Markets served

GTM type

B2B

Offering type

Software

Cost components

Personnel, Technology or R&D, Operations, Marketing or Sales, Infrastructure

Revenue model

1. Scientific Software (SaaS): MD.USE develops and commercializes original advanced software products including Ollomol, Cyclo-lib, Confmol, and Molvelle AR. These are offered as free-software products and likely as commercial subscriptions.
2. Ad-hoc Computational Services: Professional specialized services for research groups and companies willing to apply computational tools in their scientific projects. Includes evaluation, design, implementation and analysis of computational experiments, manuscript preparation assistance, and cyclodextrin system simulation services.
3. AR/VR Applications: Custom AR and VR molecular viewer applications developed for specific molecules and partners, such as Ollomol AR/VR for Captisol visualizing 12 drug complexes.

Go-to-market motion2 records

Distribution channels6 records

Marketing channels6 records

Core offering

MD.USE Innovative Solutions develops and commercializes scientific software for computational Molecular Dynamics (MD) simulations of molecular systems, with specialization in cyclodextrins. Its portfolio includes SaaS platforms (Ollomol for AR/VR visualization, Cyclo-lib cyclodextrin simulation database, Confmol conformational analysis) and AR/VR mobile applications (Molvelle AR, Cyclo Dance, Ollomol AR/VR for Captisol). The company also delivers professional ad-hoc computational simulation services to research groups and companies on a contract basis.

Product overview

MD.USE Innovative Solutions is a USC spin-off founded in July 2015 that provides scientific software (SaaS) for computational simulation of specific molecules and molecular systems. The product portfolio centers on molecular visualization and simulation tools: Ollomol (AR/VR molecular viewer), Cyclo-lib (cyclodextrin MD simulation database), and Confmol (conformational analysis tool), all accessible as SaaS platforms. These core products are complemented by specialized apps including Molvelle AR (Sugammadex binding simulation), Cyclo Dance (interactive cyclodextrin learning), and OLLOMOL AR/VR for CAPTISOL (Captisol-drug complex visualization). The company also offers Ad-hoc computational services for custom molecular simulation projects targeting pharmaceutical and biotechnology clients.

Differentiator

Problem solved

Functional benefit

Brands

• Ollomol: AR/VR molecular viewer app for visualizing molecular structures in augmented reality, 360° and virtual reality.
• Cyclo-lib
• Cyclo Dance
• Molvelle AR
• Confmol

Products and services

• Ollomol 3D molecular viewer that visualizes molecular structures in Augmented Reality, 360° and Virtual Reality using a smartphone coupled to Google Cardboard; allows users to visualize solvated molecules, create 3D/VR/AR videos and generate STL files for 3D printing. Aimed at researchers, educators and communicators in chemistry and biology.
• Cyclo-lib Public-access database containing atomistic Molecular Dynamics simulations and trajectory analysis of nearly 100 different cyclodextrins, providing structural-dynamic information at atomic level across pico- to microsecond timescales. Targeted at academic and industrial researchers working with cyclodextrins.
• Confmol Automated conformational analysis tool for small organic molecules in nearly 150 different explicit solvents; finds energy minima on the potential energy surface and ranks them, with 360° VR viewing of results. Targeted at computational chemists and researchers.
• Molvelle AR Augmented Reality app that simulates molecular binding, showing how Sugammadex binds with Rocuronium, Cholesterol and Vitamin D3 using an interactive volvelle. Developed under the EU-funded Bicyclos project for educational and research dissemination use.
• Cyclo Dance AR application that lets users virtually 'wear' different cyclodextrins as hula-hoops around their waist, exploring the molecules through an interactive dancing experience. Targeted at students, educators and science communicators.
• OLLOMOL VR for CAPTISOL Virtual Reality molecular viewer generating 3D-VR movies of complexes formed by Captisol (sulphobutylether-β-cyclodextrin) with 12 drugs including allopurinolone, amiodarone, carbamazepine, aripiprazole, busulfan, delafloxacin, carfilzomib, melphalan, posaconazole, maropitant, voriconazole and ziprasidone mesylate. Movies generated by Molecular Dynamics simulations in explicit solvent using GROMACS.
• OLLOMOL AR for CAPTISOL Augmented Reality molecular viewer for visualizing 3D-AR images of complexes formed by Captisol with 12 drugs, generated by molecular docking using AutoDock Vina. Available for free on iOS App Store and Google Play.
• Ad-hoc Computational Services Professional specialized computational services for research groups and companies, covering evaluation, design, implementation and analysis of computational experiments, manuscript preparation assistance, and atomistic explanation of experimental results. Covers cyclodextrin systems, proteins, peptides, oligosaccharides, lipid membranes, membrane proteins, nanopores, carbon nanotubes, graphene, surfactants and heterogeneous molecules. Delivered under contracts that guarantee results.

Quantifiable outcome

• Cyclo-lib database contains atomistic MD simulations of almost 100 different cyclodextrins
• +2 more outcomes

Named customers1 record

Segments3 records

Ideal customer profiles3 records

Technology focussed Yes

API detail

Has API

No

API docs

API detail

Core technology

AI maturity

App detail

AI capability3 records

Feature5 records

Partnerships

Four partnerships are on record, tiered core and minor.

• Underdog PharmaceuticalscoreStrategic or Co-development Partner · 1 June 2020Underdog Pharmaceuticals, a pharmaceutical company designing engineered cyclodextrins to address atherosclerosis and other serious diseases of aging, completed a partnership and technology acquisition agreement with MD.USE Innovative Solutions, SL. This partnership focuses on the development of cyclodextrin-based therapeutics.
• University of Santiago de CompostelacoreStrategic or Co-development PartnerCollaboration within the framework of the European Bicyclos project (EC-funded Staff Exchange project n° 101130235). The University provides academic research expertise and is the source institution of the USC spin-off.
• CarbohydeminorStrategic or Co-development PartnerCollaboration partner in the European Bicyclos project for development of Molvelle AR application showcasing Sugammadex molecular binding simulations.
• IES Rosalía de Castro, Santiago de CompostelaminorStrategic or Co-development PartnerEducational institution collaboration partner in the European Bicyclos project for Molvelle AR development.

Scale indicators2 records

Recent moves7 records

Expansion highlights5 records

Broad incumbents

• Schrödinger: Schrödinger is a leading computational chemistry platform offering molecular simulation, docking, and predictive modeling for drug discovery. It competes with MD.USE's core molecular dynamics and conformational-analysis offerings but at much broader scale and with a much larger pharma client base.
• OpenEye Scientific (Cadence Design Systems): OpenEye develops molecular modeling, cheminformatics, and molecular dynamics tools (e.g., OMEGA, FRED, OpenMM-based solutions) for drug discovery. It is a broad incumbent serving pharma with overlapping capabilities to MD.USE's computational chemistry and molecular dynamics offerings.
• BIOVIA (Dassault Systèmes): BIOVIA provides enterprise molecular modeling, simulation, and informatics suites (Discovery Studio, BIOVIA Pipeline Pilot) used across pharma and materials science. It is a broad incumbent in the same life-science software category that MD.USE targets with its MD simulations and visualization tools.
• Chemical Computing Group (MOE): Chemical Computing Group develops the Molecular Operating Environment (MOE), a widely used drug discovery platform for docking, molecular simulation, and conformational analysis. It overlaps directly with MD.USE's cheminformatics and molecular modeling stack but as part of a much broader commercial offering.
• Accelrys (now part of BIOVIA): Accelrys (now integrated into BIOVIA) historically provided scientific informatics platforms for chemistry, biology, and materials research. It is a broad incumbent in the same life-science software space where MD.USE sells prepackaged scientific software.

Others

• MolPort: MolPort operates a chemical compound sourcing and informatics platform used by pharmaceutical and academic researchers. It is thematically adjacent to MD.USE's molecular science focus and serves overlapping academic/research customers, but it is a sourcing platform rather than a simulation competitor.
• Cyclolab: Cyclolab is a specialist cyclodextrin manufacturer and research supplier based in Hungary, working in the same cyclodextrin chemistry niche MD.USE specializes in. It is an ecosystem participant and potential supplier/partner rather than a software competitor.
• GROMACS developers: The GROMACS open-source project is the underlying MD engine that MD.USE explicitly uses in its scientific software stack. As the upstream infrastructure provider, it is an enabling/ecosystem participant rather than a competitor, though it shapes the technical foundation MD.USE builds on.

Direct peers

• Nanome: Nanome builds VR/AR tools for molecular visualization and collaborative drug design, including 3D molecular viewers used by research scientists and pharma. It directly competes with MD.USE's Ollomol AR/VR molecular viewers in the immersive molecular visualization space.
• Cresset: Cresset provides computational chemistry software and services — including ligand-based molecular modeling and contract simulation work — for pharma and biotech clients. Its combination of software (Flare, Spark) and services makes it a directly comparable computational chemistry peer to MD.USE.

Market position

Strengths5 records

Weaknesses5 records

Competitive moat4 records

Key risks6 records

Key highlights7 records

Customer concentration

• YouTubeyoutube.com/channel/mduse
• Facebookfacebook.com/mduse
• LinkedInlinkedin.com/company/md-use

Revenue estimate

Valuation estimate

Number of profiles

Funding overview

Funding rounds1 record

Investors1 record

Funding detail is available on the Subscription and Enterprise plan.Contact sales →

M&A

Investments

M&A and investment is available on the Subscription and Enterprise plan.Contact sales →

Frequently asked questions about MD.USE Innovative Solutions