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Rauer, Clemens clemens.rauer@uam.es

Química / Universidad Autónoma de Madrid

Publications

Novel machine learning approaches revolutionize protein knowledge

  • Bordin, N
  • Dallago, C
  • Heinzinger, M
  • Kim, S
  • Littmann, M
  • Rauer, C
  • Steinegger, M
  • Rost, B
  • Orengo, C
... View more Collapse

Trends In Biochemical Sciences (p. 345-359) - 1/4/2023

10.1016/j.tibs.2022.11.001 View at source

  • ISSN 09680004

AlphaFold2 reveals commonalities and novelties in protein structure space for 21 model organisms

  • Bordin, N
  • Sillitoe, I
  • Nallapareddy, V
  • Rauer, C
  • Lam, SD
  • Waman, VP
  • Sen, N
  • Heinzinger, M
  • Littmann, M
  • Kim, S
  • Velankar, S
  • Steinegger, M
  • Rost, B
  • Orengo, C
... View more Collapse

Commun Biol - 1/12/2023

10.1038/s42003-023-04488-9 View at source

  • ISSN 23993642

Computational approaches to predict protein functional families and functional sites

  • Rauer, Clemens
  • Sen, Neeladri
  • Waman, P. Vaishali
  • Abbasian, Mahnaz
  • Orengo, A. Christine;

Current Opinion In Structural Biology (p. 108-122) - 1/10/2021

10.1016/j.sbi.2021.05.012 View at source

  • ISSN 0959440X

CATH: increased structural coverage of functional space

  • Sillitoe, Ian
  • Bordin, Nicola
  • Dawson, Natalie
  • Waman, Vaishali P.
  • Ashford, Paul
  • Scholes, Harry M.
  • Pang, Camilla S. M.
  • Woodridge, Laurel
  • Rauer, Clemens
  • Sen, Neeladri
  • Abbasian, Mahnaz
  • Le Cornu, Sean
  • Lam, Su Datt
  • Berka, Karel
  • Varekova, Ivana Hutarova
  • Svobodova, Radka
  • Lees, Jon
  • Orengo, Christine A.;
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Nucleic Acids Research (p. D266-D273) - 8/1/2021

10.1093/nar/gkaa1079 View at source

  • ISSN 03051048

Hydration free energies from kernel-based machine learning: Compound-database bias

  • Rauer, Clemens
  • Bereau, Tristan;

Journal Of Chemical Physics - 7/7/2020

10.1063/5.0012230 View at source

  • ISSN 00219606

SARS-CoV-2 spike protein predicted to form complexes with host receptor protein orthologues from a broad range of mammals

  • Lam, S. D.
  • Bordin, N.
  • Waman, V. P.
  • Scholes, H. M.
  • Ashford, P.
  • Sen, N.
  • van Dorp, L.
  • Rauer, C.
  • Dawson, N. L.
  • Pang, C. S. M.
  • Abbasian, M.
  • Sillitoe, I
  • Edwards, S. J. L.
  • Fraternali, F.
  • Lees, J. G.
  • Santini, J. M.
  • Orengo, C. A.;
... View more Collapse

Scientific Reports - 1/12/2020

10.1038/s41598-020-71936-5 View at source

  • ISSN 20452322

Stepwise photosensitized thymine dimerization mediated by an exciton intermediate

  • Rauer, Clemens
  • Nogueira, Juan J.
  • Marquetand, Philipp
  • Gonzalez, Leticia;

Monatshefte Fur Chemie (p. 1-9) - 1/1/2018

10.1007/s00706-017-2108-4 View at source

  • ISSN 00269247

Communication: GAIMS-Generalized Ab Initio Multiple Spawning for both internal conversion and intersystem crossing processes

  • Curchod, Basile F. E.
  • Rauer, Clemens
  • Marquetand, Philipp
  • Gonzalez, Leticia
  • Martinez, Todd J.;

Journal Of Chemical Physics - 14/3/2016

10.1063/1.4943571 View at source

  • ISSN 00219606

Cyclobutane Thymine Photodimerization Mechanism Revealed by Nonadiabatic Molecular Dynamics

  • Rauer, Clemens
  • Nogueira, Juan J.
  • Marquetand, Philipp
  • Gonzalez, Leticia;

Journal Of The American Chemical Society (p. 15911-15916) - 14/12/2016

10.1021/jacs.6b06701 View at source

  • ISSN 00027863

Electronic and Structural Elements That Regulate the Excited-State Dynamics in Purine Nucleobase Derivatives

  • Crespo-Hernandez, Carlos E.
  • Martinez-Fernandez, Lara
  • Rauer, Clemens
  • Reichardt, Christian
  • Mai, Sebastian
  • Pollum, Marvin
  • Marquetand, Philipp
  • Gonzalez, Leticia
  • Corral, Ines;
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Journal Of The American Chemical Society (p. 4368-4381) - 8/4/2015

10.1021/ja512536c View at source

  • ISSN 00027863

This researcher has no books.

This researcher has no book chapters.

Insight Into the Structural Evolution of Polyamine Acetyltransferases Across Prokaryotes, Eukaryotes, and Archaea

  • Do, H
  • Bordin, N
  • Rauer, C
  • Orengo, C
  • Kuhn, M

Protein Science - 1/1/2023

  • ISSN 09618368
  • iMarina

This researcher has no working papers.

This researcher has no technical reports.

This researcher has no research projects.

This researcher has no supervised thesis.

This researcher has no patents or software licenses.

Last data update: 3/19/24 12:52 AM