Title: OpenPathSampling: A Python framework for path sampling simulations. II. Building and customizing path ensembles and sample schemes
Authors: last_name: Swenson
first_name: David W.H.
name: David W.H. Swenson
affiliations: label: 1
institution: van’t Hoff Institute for Molecular Sciences, University of Amsterdam
country: The Netherlands
name: van’t Hoff Institute for Molecular Sciences, University of Amsterdam , PO Box 94157, 1090 GD Amsterdam, The Netherlands
label: 2
institution: Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center
country: USA
name: Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center , New York, NY 10065, USA
notes: Equal contributor; dwhs@hyperblazer.net
last_name: Prinz
first_name: Jan-Hendrik
name: Jan-Hendrik Prinz
affiliations: label: 2
institution: Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center
country: USA
name: Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center , New York, NY 10065, USA
label: 3
institution: Department of Mathematics and Computer Science, Arnimallee 6, Freie Universität Berlin
country: Germany
name: Department of Mathematics and Computer Science, Arnimallee 6, Freie Universität Berlin , 14195 Berlin, Germany
notes: Equal contributor; jan.prinz@choderalab.org
orcid: http://orcid.org/0000-0003-4898-9420
last_name: Noe
first_name: Frank
name: Frank Noe
affiliations: label: 3
institution: Department of Mathematics and Computer Science, Arnimallee 6, Freie Universität Berlin
country: Germany
name: Department of Mathematics and Computer Science, Arnimallee 6, Freie Universität Berlin , 14195 Berlin, Germany
notes: Equal contributor; jan.prinz@choderalab.org
orcid: http://orcid.org/0000-0003-0542-119X
last_name: Chodera
first_name: John D.
name: John D. Chodera
affiliations: label: 2
institution: Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center
country: USA
name: Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center , New York, NY 10065, USA
notes: Equal contributor; jan.prinz@choderalab.org
last_name: Bolhuis
first_name: Peter G.
name: Peter G. Bolhuis
affiliations: label: 1
institution: van’t Hoff Institute for Molecular Sciences, University of Amsterdam
country: The Netherlands
name: van’t Hoff Institute for Molecular Sciences, University of Amsterdam , PO Box 94157, 1090 GD Amsterdam, The Netherlands
notes: Equal contributor; jan.prinz@choderalab.org
Affiliations: label: 1
institution: van’t Hoff Institute for Molecular Sciences, University of Amsterdam
country: The Netherlands
name: van’t Hoff Institute for Molecular Sciences, University of Amsterdam , PO Box 94157, 1090 GD Amsterdam, The Netherlands
label: 2
institution: Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center
country: USA
name: Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center , New York, NY 10065, USA
label: 3
institution: Department of Mathematics and Computer Science, Arnimallee 6, Freie Universität Berlin
country: Germany
name: Department of Mathematics and Computer Science, Arnimallee 6, Freie Universität Berlin , 14195 Berlin, Germany
Field: Biochemistry, Genetics and Molecular Biology
Document type: preprint
Year: 2018