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Rauer, Clemens clemens.rauer@uam.es

Química / Universidad Autónoma de Madrid

Actividades

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
... Ver más Contraer

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

10.1016/j.tibs.2022.11.001 Ver en origen

  • 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
... Ver más Contraer

Commun Biol - 1/12/2023

10.1038/s42003-023-04488-9 Ver en origen

  • 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 Ver en origen

  • 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.;
... Ver más Contraer

Nucleic Acids Research (p. D266-D273) - 8/1/2021

10.1093/nar/gkaa1079 Ver en origen

  • 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 Ver en origen

  • 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.;
... Ver más Contraer

Scientific Reports - 1/12/2020

10.1038/s41598-020-71936-5 Ver en origen

  • 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 Ver en origen

  • 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 Ver en origen

  • 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 Ver en origen

  • 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;
... Ver más Contraer

Journal Of The American Chemical Society (p. 4368-4381) - 8/4/2015

10.1021/ja512536c Ver en origen

  • ISSN 00027863

Este/a investigador/a no tiene libros.

Este/a investigador/a no tiene capítulos de libro.

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

Este/a investigador/a no tiene documentos de trabajo.

Este/a investigador/a no tiene informes técnicos.

Este/a investigador/a no tiene proyectos de investigación.

Este/a investigador/a no tiene tesis dirigidas.

Este/a investigador/a no tiene patentes o licencias de software.

Última actualización de los datos: 19/03/24 0:52