Published in J Comput Chem on July 15, 2010
Methodologies for the analysis of instantaneous lipid diffusion in MD simulations of large membrane systems. Faraday Discuss (2014) 0.80
AGGRESCAN: a server for the prediction and evaluation of "hot spots" of aggregation in polypeptides. BMC Bioinformatics (2007) 3.02
Biomolecular modeling: Goals, problems, perspectives. Angew Chem Int Ed Engl (2006) 2.46
Exploiting the Burkholderia pseudomallei acute phase antigen BPSL2765 for structure-based epitope discovery/design in structural vaccinology. Chem Biol (2013) 1.45
Assessing equilibration and convergence in biomolecular simulations. Proteins (2002) 1.40
The Key to Solving the Protein-Folding Problem Lies in an Accurate Description of the Denatured State Financial support from the Schweizerischer Nationalfonds (Project no. 21-50929.97) is gratefully acknowledged. Angew Chem Int Ed Engl (2001) 1.18
Comparing geometric and kinetic cluster algorithms for molecular simulation data. J Chem Phys (2010) 1.08
Configurational entropy elucidates the role of salt-bridge networks in protein thermostability. Protein Sci (2007) 1.06
Abundance of the Quorum-Sensing Factor Ax21 in Four Strains of Stenotrophomonas maltophilia Correlates with Mortality Rate in a New Zebrafish Model of Infection. PLoS One (2013) 1.05
Molecular dynamics simulations of a reversibly folding beta-heptapeptide in methanol: influence of the treatment of long-range electrostatic interactions. J Phys Chem B (2009) 0.99
Can one derive the conformational preference of a beta-peptide from its CD spectrum? J Am Chem Soc (2002) 0.99
Exploiting antigenic diversity for vaccine design: the chlamydia ArtJ paradigm. J Biol Chem (2010) 0.94
Exploiting protein flexibility to predict the location of allosteric sites. BMC Bioinformatics (2012) 0.93
The rheumatoid arthritis-associated allele HLA-DR10 (DRB1*1001) shares part of its repertoire with HLA-DR1 (DRB1*0101) and HLA-DR4 (DRB*0401). Arthritis Rheum (2008) 0.91
Thyroglobulin peptides associate in vivo to HLA-DR in autoimmune thyroid glands. J Immunol (2008) 0.89
Protein nanodisk assembling and intracellular trafficking powered by an arginine-rich (R9) peptide. Nanomedicine (Lond) (2010) 0.87
A novel approach for designing simple point charge models for liquid water with three interaction sites. J Comput Chem (2003) 0.85
Assessing the structural conservation of protein pockets to study functional and allosteric sites: implications for drug discovery. BMC Struct Biol (2010) 0.85
PARS: a web server for the prediction of Protein Allosteric and Regulatory Sites. Bioinformatics (2014) 0.84
A structure-based strategy for epitope discovery in Burkholderia pseudomallei OppA antigen. Structure (2012) 0.84
Structural and biochemical characterization of NarE, an iron-containing ADP-ribosyltransferase from Neisseria meningitidis. J Biol Chem (2011) 0.83
Molecular-dynamics simulations of C- and N-terminal peptide derivatives of GCN4-p1 in aqueous solution. Chem Biodivers (2005) 0.82
EsiB, a novel pathogenic Escherichia coli secretory immunoglobulin A-binding protein impairing neutrophil activation. MBio (2013) 0.82
Crystal structure of c5321: a protective antigen present in uropathogenic Escherichia coli strains displaying an SLR fold. BMC Struct Biol (2013) 0.81
Molecular dynamics simulations of peptides containing an unnatural amino acid: dimerization, folding, and protein binding. Proteins (2004) 0.80
The role of hydration in protein stability: comparison of the cold and heat unfolded states of Yfh1. J Mol Biol (2012) 0.80
Procarboxypeptidase A from the insect pest Helicoverpa armigera and its derived enzyme. Two forms with new functional properties. Eur J Biochem (2003) 0.80
Stability of SIV gp32 fusion-peptide single-layer protofibrils as monitored by molecular-dynamics simulations. Angew Chem Int Ed Engl (2005) 0.80
Why is a protective antigen protective? Hum Vaccin (2009) 0.80
Calcium binding to the purple membrane: A molecular dynamics study. Proteins (2009) 0.80
Understanding the molecular determinants driving the immunological specificity of the protective pilus 2a backbone protein of group B streptococcus. PLoS Comput Biol (2013) 0.79
Reply. Angew Chem Int Ed Engl (2001) 0.79
Nanoparticulate architecture of protein-based artificial viruses is supported by protein-DNA interactions. Nanomedicine (Lond) (2011) 0.79
RGD-based cell ligands for cell-targeted drug delivery act as potent trophic factors. Nanomedicine (2012) 0.78
On the influence of charged side chains on the folding-unfolding equilibrium of beta-peptides: a molecular dynamics simulation study. Chemistry (2005) 0.78
In vivo architectonic stability of fully de novo designed protein-only nanoparticles. ACS Nano (2014) 0.78
From crystal structure to in silico epitope discovery in the Burkholderia pseudomallei flagellar hook-associated protein FlgK. FEBS J (2015) 0.78
Free energy calculations offer insights into the influence of receptor flexibility on ligand-receptor binding affinities. J Comput Aided Mol Des (2011) 0.78
Disulfide bond formation and activation of Escherichia coli β-galactosidase under oxidizing conditions. Appl Environ Microbiol (2012) 0.77
Estimating the temperature dependence of peptide folding entropies and free enthalpies from total energies in molecular dynamics simulations. Chemistry (2008) 0.77
beta-hairpin folding and stability: molecular dynamics simulations of designed peptides in aqueous solution. J Pept Sci (2004) 0.77
Engineering the E. coli beta-galactosidase for the screening of antiviral protease inhibitors. Biochem Biophys Res Commun (2005) 0.76
Conformational and functional variants of CD44-targeted protein nanoparticles bio-produced in bacteria. Biofabrication (2016) 0.76
Modelling of the complex between a 15-residue peptide from mSos2 and the N-terminal SH3 domain of Grb2 by molecular-dynamics simulation. Chem Biodivers (2004) 0.76