Andreas Vitalis
Cited by
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Net charge per residue modulates conformational ensembles of intrinsically disordered proteins
AH Mao, SL Crick, A Vitalis, CL Chicoine, RV Pappu
Proceedings of the National Academy of Sciences 107 (18), 8183-8188, 2010
ABSINTH: a new continuum solvation model for simulations of polypeptides in aqueous solutions
A Vitalis, RV Pappu
Journal of computational chemistry 30 (5), 673-699, 2009
PELE: protein energy landscape exploration. A novel Monte Carlo based technique
KW Borrelli, A Vitalis, R Alcantara, V Guallar
Journal of chemical theory and computation 1 (6), 1304-1311, 2005
A polymer physics perspective on driving forces and mechanisms for protein aggregation
RV Pappu, X Wang, A Vitalis, SL Crick
Archives of biochemistry and biophysics 469 (1), 132-141, 2008
Quantitative characterization of intrinsic disorder in polyglutamine: insights from analysis based on polymer theories
A Vitalis, X Wang, RV Pappu
Biophysical journal 93 (6), 1923-1937, 2007
Methods for Monte Carlo simulations of biomacromolecules
A Vitalis, RV Pappu
Annual reports in computational chemistry 5, 49-76, 2009
Characterizing the conformational ensemble of monomeric polyglutamine
X Wang, A Vitalis, MA Wyczalkowski, RV Pappu
Proteins: Structure, Function, and Bioinformatics 63 (2), 297-311, 2006
Modulation of polyglutamine conformations and dimer formation by the N-terminus of huntingtin
TE Williamson, A Vitalis, SL Crick, RV Pappu
Journal of molecular biology 396 (5), 1295-1309, 2010
Atomistic simulations of the effects of polyglutamine chain length and solvent quality on conformational equilibria and spontaneous homodimerization
A Vitalis, X Wang, RV Pappu
Journal of molecular biology 384 (1), 279-297, 2008
Quantitative assessments of the distinct contributions of polypeptide backbone amides versus side chain groups to chain expansion via chemical denaturation
AS Holehouse, K Garai, N Lyle, A Vitalis, RV Pappu
Journal of the American Chemical Society 137 (8), 2984-2995, 2015
Assessing the contribution of heterogeneous distributions of oligomers to aggregation mechanisms of polyglutamine peptides
A Vitalis, RV Pappu
Biophysical chemistry 159 (1), 14-23, 2011
Thermodynamics of β-sheet formation in polyglutamine
A Vitalis, N Lyle, RV Pappu
Biophysical Journal 97 (1), 303-311, 2009
Dynamic microfluidic control of supramolecular peptide self-assembly
ZA Arnon, A Vitalis, A Levin, TCT Michaels, A Caflisch, TPJ Knowles, ...
Nature communications 7 (1), 13190, 2016
Micelle-like architecture of the monomer ensemble of Alzheimer’s amyloid-β peptide in aqueous solution and its implications for Aβ aggregation
A Vitalis, A Caflisch
Journal of molecular biology 403 (1), 148-165, 2010
Efficient construction of mesostate networks from molecular dynamics trajectories
A Vitalis, A Caflisch
Journal of chemical theory and computation 8 (3), 1108-1120, 2012
Disordered binding of small molecules to Aβ (12–28)
M Convertino, A Vitalis, A Caflisch
Journal of Biological Chemistry 286 (48), 41578-41588, 2011
Improved Atomistic Monte Carlo Simulations Demonstrate That Poly-l-Proline Adopts Heterogeneous Ensembles of Conformations of Semi-Rigid Segments …
A Radhakrishnan, A Vitalis, AH Mao, AT Steffen, RV Pappu
The journal of physical chemistry B 116 (23), 6862-6871, 2012
Amyloid β fibril elongation by monomers involves disorder at the tip
M Bacci, J Vymětal, M Mihajlovic, A Caflisch, A Vitalis
Journal of chemical theory and computation 13 (10), 5117-5130, 2017
ISIM: a program for grand canonical Monte Carlo simulations of the ionic environment of biomolecules
A Vitalis*, NA Baker, JA McCammon
Molecular Simulation 30 (1), 45-61, 2004
The ATAD2 bromodomain binds different acetylation marks on the histone H4 in similar fuzzy complexes
C Langini, A Caflisch, A Vitalis
Journal of Biological Chemistry 292 (40), 16734-16745, 2017
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