Molecular modeling consulting

Expertise and Services

Best of our experite to serve your projects.

Molecular modeling core expertise

Cheminformatics
QSAR/QSPR
Machine learning
Anisotropic electrostatics
Halogen bonding
Force field development
Conformational analysis
Molecular dynamics
Virtual screening/docking
Quantum chemistry

IT related expertise

Scientific sowtware development
Algorithm development
Numerical methods
Scripting processing pipelines
Robust optimization
Big Data analysis / Hadoop
Parallel computing
Cloud computing
Docker abstraction
Databases, SQL, BigQuery

Scientific metrics

Ph.D. in chemistry

25+ scientific papers

Scholar.google

https://orcid.org/0000-0001-6001-1295

12+ scientific grants - in 5 as leader

At Lomonosov Moscow State University

supervision of:

5 MS diploma
4 graduate students

Med.Chem.Lab's personal page

IT best practices

Requirements gathering/negotiation
Agile/Scrum
Waterfall
MVP definition and inplementation
Crossfunctional teams
Test driven design
Code review

How we work

We value win/win approach to deliver best possible solution to address real customer needs within reasonable budget and time constraints.

Appreciate Agile

A means to accomplish the most meaningful work

Value MVP
Goals and means refinements as necessary
Incremental work using backlog

Startup thinking

Understanding startup mindset/reality

A.Osterwalder's canvas

Regular business

Processes, projects, hierarchy, leadership, functions

Six sigma

MBA degree

Experience

We believe our diverse experience helps to streamline the paths to successful project completion.

Short stats

20+ years in IT and Drug discovery
7+ years in business and B2B sales
5+ years in startup environment

Contract RnD

Drug discovery
Polymer science
Adhesive research
Diffusion modeling
Dyes development

Innovations management

Assessment of corporate culture (AS IS)
Steps to enforce innovations (TO BE)

Viable network

Drug discovery researchers
Machine learners
Medicinal chemists
Senior management and owners

Customers and Partners

PharmaDiall
In Silico Medicine
Datalytica

VkusVill
One of the top-5
polymer producers