Publications
List of research articles published within the Volkamer Lab during the time at UdS and before at Charité. For additional/earlier publications refer to the Team section and click on any member profile.
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- Antoine Lacour
- Hamza Ibrahim
- Andrea Volkamer
- Anna K. H. Hirsch
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- Raquel López-Ríos de Castro
- Alejandro Santana-Bonilla
- Robert M. Ziolek
- Christian D. Lorenz
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- Yonghui Chen
- David Schaller
- Janine Berkholz
- Andrea Volkamer
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- David Schaller
- Clara D. Christ
- John D. Chodera
- Andrea Volkamer
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- Michael Backenköhler
- Paula Linh Kramer
- Joschka Groß
- Gerrit Großmann
- Roman Joeres
- Azat Tagirdzhanov
- Dominique Sydow
- Hamza Ibrahim
- Floriane Odje
- Verena Wolf
- Andrea Volkamer
Preprints
2024
2023
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- Afnan Sultan
- Jochen Sieg
- Miriam Mathea
- Andrea Volkamer
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- Floriane Odje
- David Meijer
- Elena von Coburg
- Justin J. J. van der Hooft
- Sebastian Dunst
- Marnix H. Medema
- Andrea Volkamer
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- Kerstin Lenhof
- Lea Eckhart
- Lisa-Marie Rolli
- Andrea Volkamer
- Hans-Peter Lenhof
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- Michael Backenköhler
- Joschka Groß
- Verena Wolf
- Andrea Volkamer
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- Ioulia Antonia Exapicheidou
- Atanaz Shams
- Hamza Ibrahim
- Aleksei Tsarenko
- Michael Backenköhler
- Mostafa M. Hamed
- Eleonora Diamanti
- Andrea Volkamer
- Dirk J. Slotboom
- Anna K. H. Hirsch
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- Melissa L. Boby
- Daren Fearon
- Matteo Ferla
- Mihajlo Filep
- Lizbé Koekemoer
- Matthew C. Robinson
- The COVID Moonshot Consortium
- (...
- Jaime Rodríguez-Guerra
- David Schaller
- Andrea Volkamer
- ...)
- John D. Chodera
- Alpha A. Lee
- Nir London
- Annette von Delft
- Frank von Delft
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- Michael W. Mullowney
- Katherine R. Duncan
- Somayah S. Elsayed
- Neha Garg
- Justin J. J. van der Hooft
- Nathaniel I. Martin
- David Meijer
- Barbara R. Terlouw
- Friederike Biermann
- Kai Blin
- Janani Durairaj
- Marina Gorostiola González
- Eric J. N. Helfrich
- Florian Huber
- Stefan Leopold-Messer
- Kohulan Rajan
- Tristan de Rond
- Jeffrey A. van Santen
- Maria Sorokina
- Marcy J. Balunas
- Mehdi A. Beniddir
- Doris A. van Bergeijk
- Laura M. Carroll
- Chase M. Clark
- Djork-Arné Clevert
- Chris A. Dejong
- Chao Du
- Scarlet Ferrinho
- Francesca Grisoni
- Albert Hofstetter
- Willem Jespers
- Olga V. Kalinina
- Satria A. Kautsar
- Hyunwoo Kim
- Tiago F. Leao
- Joleen Masschelein
- Evan R. Rees
- Raphael Reher
- Daniel Reker
- Philippe Schwaller
- Marwin Segler
- Michael A. Skinnider
- Allison S. Walker
- Egon L. Willighagen
- Barbara Zdrazil
- Nadine Ziemert
- Rebecca J. M. Goss
- Pierre Guyomard
- Andrea Volkamer
- William H. Gerwick
- Hyun Uk Kim
- Rolf Müller
- Gilles P. van Wezel
- Gerard J. P. van Westen
- Anna K. H. Hirsch
- Roger G. Linington
- Serina L. Robinson
- Marnix H. Medema
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- Alexander Gujarnov
- Andrea Kreuchwig
- Thomas Steger-Hartmann
- Lea Vaas
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- Jannis Born
- Greta Markert
- Nikita Janakarajan
- Talia B. Kimber
- Andrea Volkamer
- María Rodríguez Martínez
- Matteo Manica
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- Florian Perner
- Eytan M. Stein
- Daniela V. Wenge
- Sukrit Singh
- Jeonghyeon Kim
- Athina Apazidis
- Homa Rahnamoun
- Disha Anand
- Christian Marinaccio
- Charlie Hatton
- Yanhe Wen
- Richard M. Stone
- David Schaller
- Shoron Mowla
- Wenbin Xiao,
- Holly A. Gamlen
- Aaron J. Stonestrom
- Sonali Persaud
- Elizabeth Ener
- Jevon A. Cutler
- John G. Doench
- Gerard M. McGeehan
- Andrea Volkamer
- John D. Chodera
- Radosław P. Nowak
- Eric S. Fischer
- Ross L. Levine
- Scott A. Armstrong
- Sheng F. Cai
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- Philipp Jordan
- Amanda Costa
- Edgar Specker
- Oliver Popp
- Andrea Volkamer
- Regina Piske
- Tessa Obrusnik
- Sabrina Kleissle
- Kevin Stuke
- Andre Rex
- Martin Neuenschwander
- Jens Peter Von Kries
- Marc Nazare
- Phillip Mertins
- Helmut Kettenmann
- Susanne A. Wolf
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- Andrea Volkamer
- Sereina Riniker
- Eva Nittinger
- Jessica Lanini
- Francesca Grisoni
- Emma Evertsson
- Raquel Rodríguez-Pérez
- Nadine Schneider
- (2022). Kinase Similarity Assessment Pipeline for Off-Target Prediction [v1.0]. Living Journal of Computational Molecular Science 3(1):1599. DOI: 10.33011/livecoms.3.1.1599.
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- Dominique Sydow
- Eva Aßmann
- Albert Kooistra
- Friedrich Rippmann
- Andrea Volkamer
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- Dominique Sydow
- Jaime Rodríguez-Guerra
- Talia B. Kimber
- David Schaller
- Corey Taylor
- Yonghui Chen
- Mareike Leja
- Sakshi Misra
- Michele Wichmann
- Armin Ariamajd
- Andrea Volkamer
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- Andrea Morger
- Marina Garcia de Lomana
- Ulf Norinder
- Fredrik Svensson
- Johannes Kirchmair
- Miriam Mathea
- Andrea Volkamer
- (2022). OpenCADD-KLIFS: A Python package to fetch kinase data from the KLIFS database. The Journal of Open Source Software 7(70):3951. DOI: 10.21105/joss.03951.
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- Suzanne Ackloo
- Rima Al-awar
- Rommie E. Amaro
- Cheryl H. Arrowsmith
- Hatylas Azevedo
- Robert A. Batey
- Yoshua Bengio
- Ulrich A. K. Betz
- Cristian G. Bologa
- John D. Chodera
- Wendy D. Cornell
- Ian Dunham
- Gerhard F. Ecker
- Kristina Edfeldt
- Aled M. Edwards
- Michael K. Gilson
- Claudia R. Gordijo
- Gerhard Hessler
- Alexander Hillisch
- Anders Hogner
- John J. Irwin
- Johanna M. Jansen
- Daniel Kuhn
- Andrew R. Leach
- Alpha A. Lee
- Uta Lessel
- Maxwell R. Morgan
- John Moult
- Ingo Muegge
- Tudor I. Oprea
- Benjamin G. Perry
- Patrick Riley
- Sophie A. L. Rousseaux
- Kumar Singh Saikatendu
- Vijayaratnam Santhakumar
- Matthieu Schapira
- Cora Scholten
- Matthew H. Todd
- Masoud Vedadi
- Andrea Volkamer
- Timothy M. Willson
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- Marina Garcia del Lomana
- Fredrik Svensson
- Andrea Volkamer
- Miriam Mathea
- Johannes Kirchmair
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- Saskia Klutzny
- Marja Kornhuber
- Andrea Morger
- Gilbert Schönfelder
- Andrea Volkamer
- Michael Oelgeschläger
- Sebastian Dunst
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- Talia B. Kimber
- Maxime Gagnebin
- Andrea Volkamer
- (2021). Teaching Computer-Aided Drug Design Using TeachOpenCADD. Teaching Programming across the Chemistry Curriculum. ACS Symposium Series 1387. DOI: 10.1021/bk-2021-1387.ch010.
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- Marina Garcia de Lomana
- Andrea Morger
- Ulf Norinder
- Roland Buesen
- Robert Landsiedel
- Andrea Volkamer
- Johannes Kirchmair
- Miriam Mathea
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- Angela Corona
- Sebastian Seibt
- David Schaller
- Rainer Schobert
- Andrea Volkamer
- Bernhard Biersack
- Enzo Tramontano
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- Andrea Morger
- Fredrik Svensson
- Staffan Arvidsson McShane
- Niharika Gauraha
- Ulf Norinder
- Ola Spjuth
- Andrea Volkamer
- (2021). Deep Learning in Virtual Screening: Recent Applications and Developments. International Journal of Molecular Sciences 22(9):4435. DOI: 10.3390/ijms22094435.
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- Eva Schaller
- Andi Ma
- Lisa Chiara Gosch
- Adrian Klefenz
- David Schaller
- Nils Goehringer
- Leonard Kaps
- Detlef Schuppan
- Andrea Volkamer
- Rainer Schobert
- Bernhard Biersack
- Bianca Nitzsche
- Michael Höpfner
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- Denis Schmidt
- Magdalena M. Scharf
- Dominique Sydow
- Eva Aßmann
- Maria Martí-Solano
- Marina Keul
- Andrea Volkamer
- Peter Kolb
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- Samuel Becker
- Gustav Steinemann
- Weronika Karle
- Kerrin Roos
- Celine Huajia Liem
- Shalini Muralikumar
- Andrea Volkamer
- Barbara Munz
- Andreas Zakrzewicz
- Janine Berkholz
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- Yelena Mostinski
- Guus J. J. E. Heynen
- Maria Pascual López-Alberca
- Jerome Paul
- Sandra Miksche
- Silke Radetzki
- David Schaller
- Elena Shanina
- Carola Seyffarth
- Yuliya Kolomeets
- Nandor Ziebart
- Judith de Schryver
- Sylvia Oestreich
- Martin Neuenschwander
- Yvette Roske
- Udo Heinemann
- Christoph Rademacher
- Andrea Volkamer
- Jens Peter von Kries
- Walter Birchmeier
- Marc Nazaré
- (2020). KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination. Journal of Chemical Information and Modeling. DOI: 10.1021/acs.jcim.0c00839.
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- Steven K. Albanese
- John D. Chodera
- Andrea Volkamer
- Simon Keng
- Robert Abel
- Lingle Wang
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- Henry Webel
- Talia B. Kimber
- Silke Radetzki
- Martin Neuenschwander
- Marc Nazaré
- Andrea Volkamer
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- Andrea Morger
- Miriam Mathea
- Janosch H. Achenbach
- Antje Wolf
- Roland Buesen
- Klaus-Juergen Schleifer
- Robert Landsiedel
- Andrea Volkamer
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- Dominique Sydow
- Michele Wichmann
- Jaime Rodríguez-Guerra
- Daria Goldmann
- Gregory Landrum
- Andrea Volkamer
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- Jens Schoene
- Thais Gazzi
- Peter Lindemann
- Mathias Christmann
- Andrea Volkamer
- Marc Nazaré
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- Natalia Ernst
- Konstantin Fackeldey
- Andrea Volkamer
- Oliver Opatz
- Marcus Weber
- (2019). TeachOpenCADD: a teaching platform for computer-aided drug design using open source packages and data. Journal of Cheminformatics 11(29). DOI: 10.1186/s13321-019-0351-x.
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- Dominique Sydow
- Lindsey Burggraaff
- Angelika Szengel
- Herman W. T. van Vlijmen
- Adriaan P. IJzerman
- Gerard J. P. van Westen
- Andrea Volkamer
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- Florian Schmitt
- Lisa Chiara Gosch
- Alexandra Dittmer
- Matthias Rothemund
- Thomas Mueller
- Rainer Schobert
- Bernhard Biersack
- Andrea Volkamer
- Michael Höpfner
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- Andrea Volkamer
- Sereina Riniker
- (2018). Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular Surfaces. Molecules 23(8):1959. DOI: 10.3390/molecules23081959.
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- Andrea Volkamer
- Mathias M. von Behren
- Stefan Bietz
- Matthias Rarey
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- Stefan Bietz
- Therese Inhester
- Florian Lauck
- Kai Sommer
- Mathias M. von Behren
- Rainer Fährrolfes
- Florian Flachsenberg
- Agnes Meyder
- Eva Nittinger
- Thomas Otto
- Matthias Hilbig
- Karen T. Schomburg
- Andrea Volkamer
- Matthias Rarey
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- Albert J. Kooistra
- Andrea Volkamer
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- Rainer Fährrolfes
- Stefan Bietz
- Florian Flachsenberg
- Agnes Meyder
- Eva Nittinger
- Thomas Otto
- Andrea Volkamer
- Matthias Rarey
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- Annemarie Lang
- Andrea Volkamer
- Laura Behm
- Susanna Röblitz
- Rainald Ehrig
- Marlon Schneider
- Liesbet Geris
- Joerg Wichard
- Frank Buttgereit
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- Sameh Eid
- Samo Turk
- Andrea Volkamer
- Friedrich Rippmann
- Simone Fulle