| Journal of Physical Chemistry B 2007 Harold A. Scheraga |
| Title | Subject | Authors |
|---|
| Modification and optimization of the united-residue (UNRES) potential energy function for canonical simulations. I. Temperature dependence of the effective energy function and test of the optimization method with single training proteins. | Chemicals, plastics and rubber industries | Cezary Czaplewski, Harold A. Scheraga, Adam Liwo, Stanislaw Oldziej, Mey Khalili, Sebastian Kalinowaski, Katarzyna Wachucik |
| Molecular dynamics with the united-residue force field: Ab initio folding simulations of multichain proteins. | Chemicals, plastics and rubber industries | Harold A. Scheraga, Adam Liwo, Ana V. Rojas |
| Potential of mean force of hydrophobic association: dependence on solute size. | Chemicals, plastics and rubber industries | Cezary Czaplewski, Harold A. Scheraga, Adam Liwo, Stanislaw Oldziej, Mariusz Makowski, Emil Sobolewski |
| Simple physics-based analytical formulas for the potentials of mean force for the interaction of amino acid side chains in water. 1. Approximate expression for the free energy of hydrophobic association based on a Gaussian-overlap model. | Chemicals, plastics and rubber industries | Harold A. Scheraga, Adam Liwo, Mariusz Makowski |
| Simple physics-based analytical formulas for the potentials of mean force for the interaction of amino acid side chains in water. 2. Tests with simple spherical systems. | Chemicals, plastics and rubber industries | Harold A. Scheraga, Adam Liwo, Katarzyna Maksimiak, Mariusz Makowski, Joanna Makowska |
| Simple physics-based analytical formulas for the potentials of mean force for the interaction of amino acid side chains in water. 3. Calculation and parameterization of the potentials of mean force of pairs of identical hydrophobic side chains. | Chemicals, plastics and rubber industries | Cezary Czaplewski, Harold A. Scheraga, Adam Liwo, Mariusz Makowski, Emil Sobolewski, Stainslaw Oldziej, Joo Hwan No |
| Use of [[super 13]C.sup.[alpha]] chemical shifts in protein structure determination. | Chemicals, plastics and rubber industries | Harold A. Scheraga, Daniel R. Ripoll, Jorge A. Vila |
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