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Carsten Baldauf

Showing results (21-30 of 53) with videos related to

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Journal of the American Chemical Society|July 10, 2014
Photodissociation of conformer-selected ubiquitin ions reveals site-specific cis/trans isomerization of proline peptide bondsStephan Warnke, Carsten Baldauf, Michael T Bowers, et al.
Journal of Chemical Theory and Computation|January 27, 2024
System-Specific Parameter Optimization for Nonpolarizable and Polarizable Force FieldsXiaojuan Hu, Kazi S Amin, Markus Schneider, et al.
Journal of Cheminformatics|April 26, 2014
Balancing selectivity vs stability using molecular dynamics and umbrella samplingJeremie Mortier, Elisabeth K Nyakatura, Markus Miettinen, et al.
Chemical Science|November 25, 2022
Impact of anion polarizability on ion pairing in microhydrated salt clustersArghya Chakraborty, Thomas Brumme, Sonja Schmahl, et al.
Angewandte Chemie (International Ed. in English)|September 19, 2007
Amide-to-ester substitution in coiled coils: the effect of removing hydrogen bonds on protein structureJessica A Scheike, Carsten Baldauf, Jan Spengler, et al.
Chemical Communications (Cambridge, England)|January 30, 2016
The SQM/COSMO filter: reliable native pose identification based on the quantum-mechanical description of protein-ligand interactions and implicit COSMO solvationAdam Pecina, René Meier, Jindřich Fanfrlík, et al.
The Journal of Chemical Physics|October 22, 2020
Benchmarking polarizable and non-polarizable force fields for Ca<sup>2+</sup>-peptides against a comprehensive QM datasetKazi S Amin, Xiaojuan Hu, Dennis R Salahub, et al.
Journal of the American Chemical Society|July 2, 2016
Conformations of Prolyl-Peptide Bonds in the Bradykinin 1-5 Fragment in Solution and in the Gas PhaseLiudmila Voronina, Antoine Masson, Michael Kamrath, et al.
Amino Acids|June 4, 2011
A systematic study of fundamentals in α-helical coiled coil mimicry by alternating sequences of β- and γ-amino acidsRaheleh Rezaei Araghi, Carsten Baldauf, Ulla I M Gerling, et al.
Physical Chemistry Chemical Physics : PCCP|November 10, 2018
Probing chirality recognition of protonated glutamic acid dimers by gas-phase vibrational spectroscopy and first-principles simulationsJohanna Klyne, Aude Bouchet, Shun-Ichi Ishiuchi, et al.
Pageof 6

Showing results (21-30 of 53) with videos related to

Sort By:
Pageof 6
Journal of the American Chemical Society|July 10, 2014
Photodissociation of conformer-selected ubiquitin ions reveals site-specific cis/trans isomerization of proline peptide bondsStephan Warnke, Carsten Baldauf, Michael T Bowers, et al.
Journal of Chemical Theory and Computation|January 27, 2024
System-Specific Parameter Optimization for Nonpolarizable and Polarizable Force FieldsXiaojuan Hu, Kazi S Amin, Markus Schneider, et al.
Journal of Cheminformatics|April 26, 2014
Balancing selectivity vs stability using molecular dynamics and umbrella samplingJeremie Mortier, Elisabeth K Nyakatura, Markus Miettinen, et al.
Chemical Science|November 25, 2022
Impact of anion polarizability on ion pairing in microhydrated salt clustersArghya Chakraborty, Thomas Brumme, Sonja Schmahl, et al.
Angewandte Chemie (International Ed. in English)|September 19, 2007
Amide-to-ester substitution in coiled coils: the effect of removing hydrogen bonds on protein structureJessica A Scheike, Carsten Baldauf, Jan Spengler, et al.
Chemical Communications (Cambridge, England)|January 30, 2016
The SQM/COSMO filter: reliable native pose identification based on the quantum-mechanical description of protein-ligand interactions and implicit COSMO solvationAdam Pecina, René Meier, Jindřich Fanfrlík, et al.
The Journal of Chemical Physics|October 22, 2020
Benchmarking polarizable and non-polarizable force fields for Ca<sup>2+</sup>-peptides against a comprehensive QM datasetKazi S Amin, Xiaojuan Hu, Dennis R Salahub, et al.
Journal of the American Chemical Society|July 2, 2016
Conformations of Prolyl-Peptide Bonds in the Bradykinin 1-5 Fragment in Solution and in the Gas PhaseLiudmila Voronina, Antoine Masson, Michael Kamrath, et al.
Amino Acids|June 4, 2011
A systematic study of fundamentals in α-helical coiled coil mimicry by alternating sequences of β- and γ-amino acidsRaheleh Rezaei Araghi, Carsten Baldauf, Ulla I M Gerling, et al.
Physical Chemistry Chemical Physics : PCCP|November 10, 2018
Probing chirality recognition of protonated glutamic acid dimers by gas-phase vibrational spectroscopy and first-principles simulationsJohanna Klyne, Aude Bouchet, Shun-Ichi Ishiuchi, et al.
Pageof 6