Consultants in Computational Chemistry,
Materials, Life Sciences and related areas
Programming training for cheminformatics
researchers who don't
want to be software engineers. Emphasis on Python, web development,
and OpenEye's OEChem.
Technical Writing and Editing Services:
- Documentation for scientific software and medical devices
(end user manuals, service manuals, administrative manuals,
quick reference guides).
- Research articles for peer-reviewed journals.
- Custom classes and workshops on technical writing (preparing perfect
poster presentations, structured writing for better reports,
preparing perfect scientific presentations).
We offer tailored solutions that combine traditional ligand- and
structure-based computer-aided drug design (CADD) methods with AI,
data science and quantum mechanics to advance molecule and target
discovery programs. Services offered include:
In addition, we also offer management, training and writing services
to foster knowledge and innovation in organizations.
Application of modern computational chemistry
and molecular modeling methods to chemical research problems:
- polymer chemistry
- food and agricultural products
- modeling software
- expert consulting on selection of software and available
molecular modeling and computational chemistry methods to address
specific research questions.
We offer a range of consulting services from molecular docking for lead
discovery, to structure- and ligand-based molecular design for lead
optimization, bioinformatic analysis of proteomic, transcripomic, and
other -omics data, and biomarker discovery services. Colorado
Computational, LLC provides the expertise you need at every stage your
Molecular Modeling & Computational Chemistry:
Small molecule database searching,
Computer-Aided Drug Design,
Cheminformatic tools development,
Modeling software recommendations and guidance for early stage groups.
Proteomics data analysis,
Transcriptomic data analysis,
DNA sequence analysis,
High quality computational chemistry
services - on flexible, affordable terms
Based in Cambridge, UK, and established in 2004, CompChem Solutions has
established a reputation for delivery of high quality, personalised
computational chemistry & chemoinformatics services. Our international
client base includes biotech companies (ranging from virtual companies
through to mid-sized enterprises), charities, translational research
groups and academics. Services offered include:
- Virtual screening (both standard & fragment screening)
- Protein homology modelling
- Assistance with drug repurposing/polypharmacology approaches
- Design of protein-protein interaction inhibitors
- Library design
- Predictive ADMET modelling
- DigitalBioPharm ltd is consulting company, working in the field
- Our main philosophy — IT-solutions usage in drug discovery
- Our services include: preclinical drug discovery, virtual
prediction of molecular docking, QSAR, medical 3D animation, venture
investments consulting and due dilligence.
DigitalBioPharm ltd - a Research and Development
company, was founded to provide IT-solutions usage in drug discovery
and biotechnology. Our team unites several IT and medicinal chemistry
professionals worldwide. Andrey Voronkov, PhD, is CEO, founder of
the company, has an experience
in the field of development of anti-cancer small molecule drugs.
Gfree Bio, LLC s a computational structure-based design and
modeling company based in the Pennsylvania Biotech Center of Bucks
County. Gfree collaborates with other companies and academic
institutions to develop tools for computer-aided drug design and pursue
novel therapeutic targets. Gfree also provides modeling services and
Our company Immunocure Discovery Solutions based in India and
in the US established to provide Computational chemistry and AI services
for drug discovery. It was founded by a Computational chemistry
Ph.D. graduate Dr. Ravikumar Muttineni who worked in Schrodinger for almost
a decade and having 19+ years of drug discovery expertise. We are having
a few clients in the US who are very happy with our results.
Immunocure is a drug discovery services CRO company providing
an end to end computational chemistry services, employing cutting-edge,
in-house AI / ML / DL tools to create best-in-class lead candidates
for our clients.
Consultancy services in
computational chemistry and drug design:
We are offering contract research and discovery consultancy through
durable, cooperative relationships. We provide solutions in drug discovery
such as virtual ligand screening, custom library design and lead
optimization as well as develop new programs that would fit your needs.
Your organization can benefit from our experience and expertise without
making the investment in hiring and buying the required equipment.
We only use our own proprietary software so you don't have to worry about
third-party licensing. We provide high level of protection and
confidentiality for your data and never retain any IP on the molecules
We are offering the following research contract services:
- Virtual High-throughput screen of commercial or corporate libraries
- Lead optimization
- Selectivity profiling of compounds against several proteins
- Selection and extraction of library through clustering techniques
- Filtering and manipulation of large library
- Virtual combinatorial library design
- Creation of focused library based on your scaffolds
- Scripts writing for easy automation of tasks
- Web-based integration for company-wide deployment
- Software can be modified or customized based on your specific needs
- Feasibility studies on a specific system
Modeling of processes, materials and devices:
- Software development
- Assistance in design of critical experiments for model validation
- Development of research strategy in new areas of R & D activities
including team building in existing locations or in new regions
- Organization of workshops and set up brain storming sessions
- Building R & D consortia and project networks
- Assistance in business development by evaluation and trade
of intellectual property
Cutting-edge computational chemistry and data analytic services:
Based in Oxford, UK, NovaData Solutions Ltd has established a reputation
for producing high quality, project focussed computational chemistry and
data analytic services. Our tailored approached when working with
multi-nationals, SMEs, VC start-ups and academic groups ensures that
project goals are met through the design of novel and realistic
molecules. Our extensive experience across many therapeutic areas covers
in silico small molecule design from Target validation to Candidate
selection and includes:
- Virtual screening and library design
- Protein homology modelling
- Structure- and ligand-based modelling
- Protein-ligand analysis using quantum mechanics
- Molecular simulation and molecular dynamics
- Predictive ADMET modelling
- Cheminformatics, QSAR and data analytics/management
- Drug repurposing and polypharmacology approaches
Product and solution provider for the pharmaceutical
and biotechnology industry:
- Drug discovery (target identification and modeling,
Selvita Protein Modeling Platform, virtual screening,
focused library design, lead optimization, in silico compound profiling).
- Chemical synthesis (synthesis design, in vitro synthesis, software
for synthesis optimalization).
- IT for research (professional services, laboratory information
management systems, drug targeting & repositioning).
SIMUNE is a company expert in atomistic simulations offering innovative products and
services to serve the needs of leading R&D teams working in the development of new
materials in a variety of applications for diverse sectors such as chemical,
electronics, energy storage, automotive, biotech and other technological
applications. We cooperate with industrial, research and academic customers in
complex simulations challenges.
assistance in materials design to analyze specific properties of
the materials or to solve specific challenges.
PROFESIONAL SUPPORT FOR "SIESTA" PROGRAM:
assistance in all necessary steps to
obtain a well-converged SIESTA and/or TranSIESTA calculation: compile the code,
choose appropriate basis set and pseudopotential, set up the model system and
select the specific parameters that define the SIESTA calculation.
development/integration of customized modules or to integrate a
specific physical theory into a computational code.
Synsight is a privately held biotech company focused
on the early stage of drug discovery, taking into account therapeutic and
Specialized in molecular modeling, chemoinformatic and structural biology
(NMR, microscopy), Synsight offers high quality services to improve
and accelerate research of pharmaceutical and cosmetic industries.
Its services can be integrated into more important research programs
as a CRO such as protein design, diagnostic kit conception or drug discovery.
Computational Chemistry Consulting:
Ligand and structure based computational chemistry consulting services
for drug discovery projects.
Machine Learning Consulting:
Machine learning and advanced data analysis for drug discovery and chemical
Chemical databases and research IT services for drug discovery research
Currently this page collects a seed list of consulting
services that I personally came in contact with. However, with the help of
CCL community, I hope to develop this area into a more extensive listing.
Please send me your propositions and recommendations.