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Andreas Vitalis
ORCID
Publication Activity (10 Years)
Years Active: 2009-2020
Publications (10 Years): 2
Top Topics
Chemical Compounds
Dynamical Systems
State Space Search
Binding Peptides
Top Venues
CoRR
Comput. Phys. Commun.
J. Chem. Inf. Model.
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Publications
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Jean-Rémy Marchand
,
Tim Knehans
,
Amedeo Caflisch
,
Andreas Vitalis
An ABSINTH-Based Protocol for Predicting Binding Affinities between Proteins and Small Molecules.
J. Chem. Inf. Model.
60 (10) (2020)
Andreas Vitalis
An Improved and Parallel Version of a Scalable Algorithm for Analyzing Time Series Data.
CoRR
(2020)
Nicolas Blöchliger
,
Andreas Vitalis
,
Amedeo Caflisch
A scalable algorithm to order and annotate continuous observations reveals the metastable states visited by dynamical systems.
Comput. Phys. Commun.
184 (11) (2013)
Andreas Vitalis
,
Rohit V. Pappu
ABSINTH: A new continuum solvation model for simulations of polypeptides in aqueous solutions.
J. Comput. Chem.
30 (5) (2009)