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Andrew Dalke

Discovery Air (Canada) CA

ORCID iD 0000-0001-8933-8830
40
Publications
72,944
Citations
12
H-Index
13
i10-Index
0
2yr Mean Cite
-
Cite/Paper
Data combined from OpenAlex . OA = OpenAlex S2 = Semantic Scholar
Verify on Google Scholar

Publication & Citation Trends

Publications

40 total

The chemfp project PDF

Andrew Dalke - Journal of Cheminformatics, 2019
Cited by 55 OpenAlex

DeepSMILES: An Adaptation of SMILES for Use in Machine-Learning of Chemical Structures PDF

Noel M. O’Boyle, Andrew Dalke - ChemRxiv, 2018
Cited by 212 OpenAlex

mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets

Andrew Dalke, Jérôme Hert, Christian Krämer - Journal of Chemical Information and Modeling, 2018
Cited by 125 OpenAlex

DeepSMILES: An Adaptation of SMILES for Use in Machine-Learning of Chemical Structures PDF

Noel M. O’Boyle, Andrew Dalke - ChemRxiv, 2018
Cited by 113 OpenAlex

FMCS: a novel algorithm for the multiple MCS problem PDF

Andrew Dalke, Janna Hastings - Journal of Cheminformatics, 2013
Cited by 52 OpenAlex

Biopython: freely available Python tools for computational molecular biology and bioinformatics PDF

Peter Cock, Tiago Antão, Jeffrey T. Chang, Brad Chapman, Cymon J. Cox et al. - Bioinformatics, 2009
Cited by 6,384 OpenAlex

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten - Journal of Molecular Graphics, 1996
Cited by 65,332 OpenAlex

NAMD: a Parallel, Object-Oriented Molecular Dynamics Program

Mark T. Nelson, William Humphrey, Attila Gürsoy, Andrew Dalke, Laxmikant V. Kalé et al. - The International Journal of Supercomputer Applications and High Performance Computing, 1996
Cited by 567 OpenAlex

MDScope — a visual computing environment for structural biology

Mark T. Nelson, William Humphrey, Richard Kufrin, Attila Gürsoy, Andrew Dalke et al. - Computer Physics Communications, 1995
Cited by 51 OpenAlex

Research Topics

Computational Drug Discovery Methods (9) Protein Structure and Dynamics (7) Scientific Computing and Data Management (7) Analytical Chemistry and Chromatography (6) Advanced Database Systems and Queries (4)

Affiliations

University of Illinois Urbana-Champaign
US 2002 - 1995
Urbana University
US 1997 - 1995
Liverpool School of Tropical Medicine
GB 2009 - 2009
Heidelberg University
DE 2009 - 2009
University Hospital Heidelberg
DE 2009 - 2009

External Profiles

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