Publications by authors named "Jan Hermans"

Claim this Profile
H
Hydrogen bonds in molecular mechanics force fields.
Jan Hermans

Adv Protein Chem· April 2016

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
The amino acid dipeptide: small but still influential after 50 years.
Jan Hermans

Proc Natl Acad Sci U S A· February 2011

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Simulating water with the self-consistent-charge density functional tight binding method: from molecular clusters to the liquid state.
Hao Hu, Zhenyu Lu, Marcus Elstner, Jan Hermans, Weitao Yang

J Phys Chem A· July 2007

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
F
Free energy of helix propagation in short polyalanine chains determined from peptide growth simulations of La3+-binding model peptides. Comparison with experimental data.
Maciej Maciejczyk, Jan Hermans, Andrzej Bierzyński

Acta Biochim Pol· December 2006

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Relating side-chain mobility in proteins to rotameric transitions: insights from molecular dynamics simulations and NMR.
Hao Hu, Jan Hermans, Andrew L Lee

J Biomol NMR· June 2005

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
P
Protein imperfections: separating intrinsic from extrinsic variation of torsion angles.
Glenn L Butterfoss, Jane S Richardson, Jan Hermans

Acta Crystallogr D Biol Crystallogr· January 2005

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
P
Promise of advances in simulation methods for protein crystallography: implicit solvent models, time-averaging refinement, and quantum mechanical modeling.
Celia Schiffer, Jan Hermans

Methods Enzymol· February 2004

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
B
Boltzmann-type distribution of side-chain conformation in proteins.
Glenn L Butterfoss, Jan Hermans

Protein Sci· December 2003

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Increased rigidity of eglin c at acidic pH: evidence from NMR spin relaxation and MD simulations.
Hao Hu, Michael W Clarkson, Jan Hermans, Andrew L Lee

Biochemistry· December 2003

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Comparison of a QM/MM force field and molecular mechanics force fields in simulations of alanine and glycine "dipeptides" (Ace-Ala-Nme and Ace-Gly-Nme) in water in relation to the problem of modeling the unfolded peptide backbone in solution.
Hao Hu, Marcus Elstner, Jan Hermans

Proteins· February 2003

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
F
Free energies of protein decoys provide insight into determinants of protein stability.
Yury N Vorobjev, Jan Hermans

Protein Sci· April 2002

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
Q
Qmd-plot: a graphical utility for rapid preliminary analysis of time series of fluctuating data, developed in the context of molecular dynamics simulations.
Sam Kalat, Geoff Mann, Jan Hermans

J Comput Chem· January 2002

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Semiempirical energy calculations on model compounds of polypeptides. Crystal structures of DL-acetylleucine N-methylamide and DL-acetyl-amino-n-butyric acid N-methylamide.
D R Ferro, Jan Hermans

Biopolymers· January 1972

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis