Hannes G Wallnoefer
Overview
Explore the profile of Hannes G Wallnoefer including associated specialties, affiliations and a list of published articles.
Author names and details appear as published. Due to indexing inconsistencies, multiple individuals may share a name, and a single author may have variations. MedLuna displays this data as publicly available, without modification or verification
Snapshot
Snapshot
Articles
12
Citations
283
Followers
0
Related Specialties
Related Specialties
Top 10 Co-Authors
Top 10 Co-Authors
Published In
Affiliations
Affiliations
Soon will be listed here.
Recent Articles
1.
Fox S, Wallnoefer H, Fox T, Tautermann C, Skylaris C
J Chem Theory Comput
. 2015 Nov;
7(4):1102-8.
PMID: 26606358
The accurate prediction of ligand binding affinities to a protein remains a desirable goal of computational biochemistry. Many available methods use molecular mechanics (MM) to describe the system, however, MM...
2.
Machado Y, Freier R, Scheiblhofer S, Thalhamer T, Mayr M, Briza P, et al.
J Allergy Clin Immunol
. 2015 Nov;
137(5):1525-34.
PMID: 26559323
Background: The search for intrinsic factors, which account for a protein's capability to act as an allergen, is ongoing. Fold stability has been identified as a molecular feature that affects...
3.
von Grafenstein S, Wallnoefer H, Kirchmair J, Fuchs J, Huber R, Schmidtke M, et al.
J Biomol Struct Dyn
. 2013 Nov;
33(1):104-20.
PMID: 24279589
Influenza virus neuraminidase (iNA) is a homotetrameric surface protein of the influenza virus and an established target for antiviral drugs. In contrast to neuraminidases (NAs) of other biological systems (non-iNAs),...
4.
Fuchs J, von Grafenstein S, Huber R, Wallnoefer H, Liedl K
Proteins
. 2013 Oct;
82(4):546-55.
PMID: 24085488
Proteases are prototypes of multispecific protein-protein interfaces. Proteases recognize and cleave protein and peptide substrates at a well-defined position in a substrate binding groove and a plethora of experimental techniques...
5.
Huber R, Fuchs J, von Grafenstein S, Laner M, Wallnoefer H, Abdelkader N, et al.
J Phys Chem B
. 2013 May;
117(21):6466-72.
PMID: 23651109
Entropy is an important energetic quantity determining the progression of chemical processes. We propose a new approach to obtain hydration entropy directly from probability density functions in state space. We...
6.
Fuchs J, von Grafenstein S, Huber R, Margreiter M, Spitzer G, Wallnoefer H, et al.
PLoS Comput Biol
. 2013 May;
9(4):e1003007.
PMID: 23637583
A purely information theory-guided approach to quantitatively characterize protease specificity is established. We calculate an entropy value for each protease subpocket based on sequences of cleaved substrates extracted from the...
7.
Fuchs J, Huber R, von Grafenstein S, Wallnoefer H, Spitzer G, Fuchs D, et al.
PLoS One
. 2013 Jan;
7(12):e53005.
PMID: 23300845
Recent clinical studies revealed increased phenylalanine levels and phenylalanine to tyrosine ratios in patients suffering from infection, inflammation and general immune activity. These data implicated down-regulation of activity of phenylalanine...
8.
Wallnoefer H, Liedl K, Fox T
J Chem Inf Model
. 2011 Oct;
51(11):2860-7.
PMID: 21970362
Structural water molecules are crucial for the stability and function of proteins. Recently, we presented a molecular dynamics (MD) study on blood coagulation factor Xa (fXa) to investigate the effect...
9.
Wallnoefer H, Liedl K, Fox T
J Comput Chem
. 2011 Mar;
32(8):1743-52.
PMID: 21374633
Factor Xa (fXa) is a promising target for antithrombotic drugs. Recently, we presented a molecular dynamics study on fXa, which highlighted the need for a careful system setup to obtain...
10.
Wallnoefer H, Fox T, Liedl K, Tautermann C
Phys Chem Chem Phys
. 2010 Oct;
12(45):14941-9.
PMID: 20953472
The interactions of halogen atoms with aromatic π-systems can be crucial for structural stability and ligand binding. However, many aspects of the nature and energetics of these interactions remain elusive....