Rauer, Clemens clemens.rauer@uam.es
Actividades
- Artículos 12
- Libros 0
- Capítulos de libro 0
- Congresos 1
- Documentos de trabajo 0
- Informes técnicos 0
- Proyectos de investigación 0
- Tesis dirigidas 0
- Patentes o licencias de software 0
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
Commun Biol - 1/12/2023
10.1038/s42003-023-04488-9 Ver en origen
- ISSN 23993642
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.;
Nucleic Acids Research (p. D266-D273) - 8/1/2021
10.1093/nar/gkaa1079 Ver en origen
- ISSN 03051048
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
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
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;
Journal Of The American Chemical Society (p. 4368-4381) - 8/4/2015
10.1021/ja512536c Ver en origen
- ISSN 00027863
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
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
Trends In Biochemical Sciences (p. 345-359) - 1/4/2023
10.1016/j.tibs.2022.11.001 Ver en origen
- ISSN 09680004
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.;
Scientific Reports - 1/12/2020
10.1038/s41598-020-71936-5 Ver en origen
- ISSN 20452322
Simulation of high-density water: Its glass transition for various water models
- Jehser, Martin
- Seidl, Markus
- Rauer, Clemens
- Loerting, Thomas
- Zifferer, Gerhard;
Journal Of Chemical Physics - 7/4/2014
10.1063/1.4869861 Ver en origen
- ISSN 00219606
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Este/a investigador/a no tiene capítulos de libro.
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