Daniel S. Kosov

Peptide conformational heterogeneity revealed from nonlinear vibrational spectroscopy and molecular-dynamics simulations

Sander Woutersen, Rolf Pfister, Peter Hamm et al. · The Journal of Chemical Physics · 2002 · 229 citations

Conformational Dynamics, Engineering, Peptide Conformational Heterogeneity +22

Conformational Dynamics of Trialanine in Water. 2. Comparison of AMBER, CHARMM, GROMOS, and OPLS Force Fields to NMR and Infrared Experiments

Mu, Daniel S. Kosov, Gerhard Stock · The Journal of Physical Chemistry B · 2003 · 203 citations

Conformational Dynamics, Engineering, Biochemistry +15

<i>Ab initio</i>-based exciton model of amide I vibrations in peptides: Definition, conformational dependence, and transferability

Roman Gorbunov, Daniel S. Kosov, Gerhard Stock · The Journal of Chemical Physics · 2005 · 141 citations

Protein Chemistry, Biochemistry, Protein Folding +13

Atom–atom partitioning of intramolecular and intermolecular Coulomb energy

Paul L. A. Popelier, Daniel S. Kosov · The Journal of Chemical Physics · 2001 · 138 citations

Atom–atom Partitioning, Engineering, Theoretical Inorganic Chemistry +16

Convergence of the Electrostatic Interaction Based on Topological Atoms

Paul L. A. Popelier, L. Joubert, Daniel S. Kosov · The Journal of Physical Chemistry A · 2001 · 132 citations

Engineering, Computational Chemistry, Chemistry +19