Personal information

Websites & social links

https://www.cheminformatics.fi/

Keywords

virtual screening, molecular similarity, QSAR, C++, computational drug design, Python, cheminformatics, radiotherapy treatment planning

Activities

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Education and qualifications (1)

Åbo Akademi University: Turku, FI

2003 to 2008 | PhD (Biochemistry)
Education
Source: Self-asserted source
Mikko Vainio

Works (11)

Algorithmic Analysis of Cahn–Ingold–Prelog Rules of Stereochemistry: Proposals for Revised Rules and a Guide for Machine Implementation

Journal of Chemical Information and Modeling
2018-09-24 | Journal article
DOI: 10.1021/acs.jcim.8b00324
Contributors: Robert M. Hanson; Sophia Musacchio; John W. Mayfield; Mikko J. Vainio; Andrey Yerin; Dmitry Redkin
Source: check_circle
Crossref

Big pharma screening collections: more of the same or unique libraries? The AstraZeneca-Bayer Pharma AG case.

2013-10 | Journal article
DOI: 10.1016/j.drudis.2012.10.011
PMID: 23127858
Contributors: Kogej T; Blomberg N; Greasley PJ; Mundt S; Vainio MJ; Schamberger J; Schmidt G; Hüser J
Source: Self-asserted source
Mikko Vainio via Europe PubMed Central

Scaffold hopping by fragment replacement.

2013-07 | Journal article
DOI: 10.1021/ci4001019
PMID: 23826858
Contributors: Vainio MJ; Kogej T; Raubacher F; Sadowski J
Source: Self-asserted source
Mikko Vainio via Europe PubMed Central

Automated Recycling of Chemistry for Virtual Screening and Library Design

2012-07-23 | Journal article
DOI:

10.1021/ci300157m
Source: Self-asserted source
Mikko Vainio

The Binding of Synthetic Retinoids to Lipocalin β-Lactoglobulins

2010-01-14 | Journal article
DOI:

10.1021/jm901309r
Source: Self-asserted source
Mikko Vainio

Accurate conformation-dependent molecular electrostatic potentials for high-throughput in silico drug discovery

2009 | Journal article
DOI:

10.1002/jcc.21460
Source: Self-asserted source
Mikko Vainio

ShaEP: Molecular Overlay Based on Shape and Electrostatic Potential

2009-02-23 | Journal article
DOI:

10.1021/ci800315d
Source: Self-asserted source
Mikko Vainio

Binding of phenolic compounds and their derivatives to bovine and reindeer beta-lactoglobulin.

2008-09 | Journal article
DOI: 10.1021/jf801120a
PMID: 18700775
Contributors: Riihimäki LH; Vainio MJ; Heikura JM; Valkonen KH; Virtanen VT; Vuorela PM
Source: Self-asserted source
Mikko Vainio via Europe PubMed Central

Generating Conformer Ensembles Using a Multiobjective Genetic Algorithm

2007-11 | Journal article
DOI:

10.1021/ci6005646
Source: Self-asserted source
Mikko Vainio

Similarity based virtual screening: a tool for targeted library design.

2006-04 | Journal article
DOI: 10.1021/jm051209w
PMID: 16570931
Contributors: Alvesalo JK; Siiskonen A; Vainio MJ; Tammela PS; Vuorela PM
Source: Self-asserted source
Mikko Vainio via Europe PubMed Central

McQSAR:  A Multiconformational Quantitative Structure−Activity Relationship Engine Driven by Genetic Algorithms

2005-11 | Journal article
DOI:

10.1021/ci0501847
Source: Self-asserted source
Mikko Vainio
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