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The Journal of Chemical Physics
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July 10, 2020
Hydration free energies from kernel-based machine learning: Compound-database bias
Clemens Rauer, Tristan Bereau
Monatshefte Fur Chemie
|
January 2, 2018
Stepwise photosensitized thymine dimerization mediated by an exciton intermediate
Clemens Rauer, Juan J Nogueira, Philipp Marquetand, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 15, 2025
Predicting pesticide vapour pressures: the power of functional groups
Mark Heezen, Manuel Alcamí, Clemens Rauer, et al.
Journal of the American Chemical Society
|
September 30, 2016
Cyclobutane Thymine Photodimerization Mechanism Revealed by Nonadiabatic Molecular Dynamics
Clemens Rauer, Juan J Nogueira, Philipp Marquetand, et al.
The Journal of Chemical Physics
|
April 10, 2014
Simulation of high-density water: its glass transition for various water models
Martin Jehser, Markus Seidl, Clemens Rauer, et al.
Current Opinion in Structural Biology
|
July 5, 2021
Computational approaches to predict protein functional families and functional sites
Clemens Rauer, Neeladri Sen, Vaishali P Waman, et al.
The Journal of Chemical Physics
|
March 17, 2016
Communication: GAIMS--Generalized Ab Initio Multiple Spawning for both internal conversion and intersystem crossing processes
Basile F E Curchod, Clemens Rauer, Philipp Marquetand, et al.
Protein Science : a Publication of the Protein Society
|
August 15, 2024
Clustering protein functional families at large scale with hierarchical approaches
Nicola Bordin, Harry Scholes, Clemens Rauer, et al.
Trends in Biochemical Sciences
|
December 12, 2022
Novel machine learning approaches revolutionize protein knowledge
Nicola Bordin, Christian Dallago, Michael Heinzinger, et al.
Journal of Molecular Biology
|
March 28, 2024
CATH 2024: CATH-AlphaFlow Doubles the Number of Structures in CATH and Reveals Nearly 200 New Folds
Vaishali P Waman, Nicola Bordin, Rachel Alcraft, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
July 10, 2020
Hydration free energies from kernel-based machine learning: Compound-database bias
Clemens Rauer, Tristan Bereau
Monatshefte Fur Chemie
|
January 2, 2018
Stepwise photosensitized thymine dimerization mediated by an exciton intermediate
Clemens Rauer, Juan J Nogueira, Philipp Marquetand, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 15, 2025
Predicting pesticide vapour pressures: the power of functional groups
Mark Heezen, Manuel Alcamí, Clemens Rauer, et al.
Journal of the American Chemical Society
|
September 30, 2016
Cyclobutane Thymine Photodimerization Mechanism Revealed by Nonadiabatic Molecular Dynamics
Clemens Rauer, Juan J Nogueira, Philipp Marquetand, et al.
The Journal of Chemical Physics
|
April 10, 2014
Simulation of high-density water: its glass transition for various water models
Martin Jehser, Markus Seidl, Clemens Rauer, et al.
Current Opinion in Structural Biology
|
July 5, 2021
Computational approaches to predict protein functional families and functional sites
Clemens Rauer, Neeladri Sen, Vaishali P Waman, et al.
The Journal of Chemical Physics
|
March 17, 2016
Communication: GAIMS--Generalized Ab Initio Multiple Spawning for both internal conversion and intersystem crossing processes
Basile F E Curchod, Clemens Rauer, Philipp Marquetand, et al.
Protein Science : a Publication of the Protein Society
|
August 15, 2024
Clustering protein functional families at large scale with hierarchical approaches
Nicola Bordin, Harry Scholes, Clemens Rauer, et al.
Trends in Biochemical Sciences
|
December 12, 2022
Novel machine learning approaches revolutionize protein knowledge
Nicola Bordin, Christian Dallago, Michael Heinzinger, et al.
Journal of Molecular Biology
|
March 28, 2024
CATH 2024: CATH-AlphaFlow Doubles the Number of Structures in CATH and Reveals Nearly 200 New Folds
Vaishali P Waman, Nicola Bordin, Rachel Alcraft, et al.
Page
of 2