Andrew Dalke

Researcher Next ID · RN-030021

Researcher · Computer Science

Etobicoke, Canada

Not currently recruitingFunding unknown

Research interests

Computer Science

Biochemistry, Genetics and Molecular Biology

Decision Sciences

Chemistry

Computational Drug Discovery Methods

Protein Structure and Dynamics

Scientific Computing and Data Management

Analytical Chemistry and Chromatography

Advanced Database Systems and Queries

DeepSMILES: An Adaptation of SMILES for Use in Machine-Learning of Chemical Structures
ChemRxiv · 2018 · 10.26434/chemrxiv.7097960.v1
mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets
Journal of Chemical Information and Modeling · 2018 · 10.1021/acs.jcim.8b00173
Biopython: freely available Python tools for computational molecular biology and bioinformatics
Bioinformatics · 2009 · https://doi.org/10.1093/bioinformatics/btp163
VMD: Visual molecular dynamics
Journal of Molecular Graphics · 1996 · https://doi.org/10.1016/0263-7855(96)00018-5
NAMD: a Parallel, Object-Oriented Molecular Dynamics Program
The International Journal of Supercomputer Applications and High Performance Computing · 1996 · https://doi.org/10.1177/109434209601000401

No projects listed.