Christian Bartels
Title
Cited by
Cited by
Year
CHARMM: the biomolecular simulation program
BR Brooks, CL Brooks III, AD Mackerell Jr, L Nilsson, RJ Petrella, B Roux, ...
Journal of computational chemistry 30 (10), 1545-1614, 2009
58422009
The program XEASY for computer-supported NMR spectral analysis of biological macromolecules
C Bartels, T Xia, M Billeter, P Güntert, K Wüthrich
Journal of Biomolecular NMR 6 (1), 1-10, 1995
18131995
Multidimensional adaptive umbrella sampling: Applications to main chain and side chain peptide conformations
C Bartels, M Karplus
Journal of Computational Chemistry 18 (12), 1450-1462, 1997
3721997
Solution conformations and thermodynamics of structured peptides: molecular dynamics simulation with an implicit solvation model
M Schaefer, C Bartels, M Karplus
Journal of molecular biology 284 (3), 835-848, 1998
2511998
Probability distributions for complex systems: adaptive umbrella sampling of the potential energy
C Bartels, M Karplus
The Journal of Physical Chemistry B 102 (5), 865-880, 1998
2131998
Brooks
LL Brooks
2011959
GARANT‐a general algorithm for resonance assignment of multidimensional nuclear magnetic resonance spectra
C Bartels, P Güntert, M Billeter, K Wüthrich
Journal of Computational Chemistry 18 (1), 139-149, 1997
1921997
Fast algorithm for peptide sequencing by mass spectroscopy
C Bartels
Biomedical & environmental mass spectrometry 19 (6), 363-368, 1990
1751990
Automated sequence-specific NMR assignment of homologous proteins using the program GARANT
C Bartels, M Billeter, P Güntert, K Wüthrich
Journal of biomolecular NMR 7 (3), 207-213, 1996
1551996
QSAR− How good is it in practice? Comparison of descriptor sets on an unbiased cross section of corporate data sets
P Gedeck, B Rohde, C Bartels
Journal of chemical information and modeling 46 (5), 1924-1936, 2006
1172006
Analyzing biased Monte Carlo and molecular dynamics simulations
C Bartels
Chemical Physics Letters 331 (5-6), 446-454, 2000
832000
Effective atom volumes for implicit solvent models: comparison between Voronoi volumes and minimum fluctuation volumes
M Schaefer, C Bartels, F Leclerc, M Karplus
Journal of computational chemistry 22 (15), 1857-1879, 2001
742001
A novel reduced-dimensionality triple-resonance experiment for efficient polypeptide backbone assignment, 3D CO HN N CA
T Szyperski, D Braun, C Fernandez, C Bartels, K Wuthrich
Journal of Magnetic Resonance, Series B 108 (2), 197-203, 1995
591995
Determination of equilibrium properties of biomolecular systems using multidimensional adaptive umbrella sampling
C Bartels, M Schaefer, M Karplus
The Journal of chemical physics 111, 8048, 1999
541999
Determination of the pharmacokinetics of glycopyrronium in the lung using a population pharmacokinetic modelling approach
C Bartels, M Looby, R Sechaud, G Kaiser
British journal of clinical pharmacology 76 (6), 868-879, 2013
452013
Solution conformations of structured peptides: continuum electrostatics versus distance-dependent dielectric functions
M Schaefer, C Bartels, M Karplus
Theoretical Chemistry Accounts 101 (1-3), 194-204, 1999
361999
IFLAT—a new automatic baseline-correction method for multidimensional NMR spectra with strong solvent signals
C Bartels, P Güntert, K Wüthrich
Journal of Magnetic Resonance, Series A 117 (2), 330-333, 1995
291995
Characterization of flexible molecules in solution: the RGDW peptide
C Bartels, RH Stote, M Karplus
Journal of molecular biology 284 (5), 1641-1660, 1998
271998
Correlations between FEV1 and patient-reported outcomes: a pooled analysis of 23 clinical trials in patients with chronic obstructive pulmonary disease
JF Donohue, PW Jones, C Bartels, J Marvel, P D'Andrea, D Banerji, ...
Pulmonary Pharmacology & Therapeutics 49, 11-19, 2018
242018
Adaptive umbrella sampling of the potential energy: modified updating procedure of the umbrella potential and application to peptide folding
C Bartels, M Schaefer, M Karplus
Theoretical Chemistry Accounts 101 (1-3), 62-66, 1999
141999
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