화학공학소재연구정보센터
검색결과 : 10건
No. Article
1 Solvent effects on the secondary structures of proteins
Park C, Carlson MJ, Goddard WA
Journal of Physical Chemistry A, 104(11), 2498, 2000
2 Analysis on conformational stability of C-peptide of ribonuclease A in water using the reference interaction site model theory and Monte Carlo simulated annealing
Kinoshita M, Okamoto Y, Hirata F
Journal of Chemical Physics, 110(8), 4090, 1999
3 Molecular dynamics simulations in aqueous solution : Application to free energy calculation of oligopeptides
Tazaki K, Shimizu K
Journal of Physical Chemistry B, 102(33), 6419, 1998
4 The Topology of Multidimensional Potential-Energy Surfaces - Theory and Application to Peptide Structure and Kinetics
Becker OM, Karplus M
Journal of Chemical Physics, 106(4), 1495, 1997
5 Solution-Phase Conformations of N-Acetyl-N’-Methyl-L-Alaninamide from Vibrational Raman Optical-Activity
Deng Z, Polavarapu PL, Ford SJ, Hecht L, Barron LD, Ewig CS, Jalkanen K
Journal of Physical Chemistry, 100(6), 2025, 1996
6 Effective Atomic Charge Model for Solvent and Ion Screening Effect in Iterative Calculation and Application to Monte-Carlo Simulation
Tazaki K, Doi J
Journal of Physical Chemistry, 100(34), 14520, 1996
7 Modeling Solvation Contributions to Conformational Free-Energy Changes of Biomolecules Using a Potential of Mean Force Expansion
Pellegrini M, Doniach S
Journal of Chemical Physics, 103(7), 2696, 1995
8 Finite Representation of an Infinite Bulk System - Solvent Boundary Potential for Computer-Simulations
Beglov D, Roux B
Journal of Chemical Physics, 100(12), 9050, 1994
9 The Langevin/Implicit-Euler/Normal-Mode Scheme for Molecular-Dynamics at Large Time Steps
Zhang GH, Schlick T
Journal of Chemical Physics, 101(6), 4995, 1994
10 Modeling Solvent in Biomolecular Systems
Smith PE, Pettitt BM
Journal of Physical Chemistry, 98(39), 9700, 1994