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Understanding protein folding via free-energy surfaces from theory and experiment, , , , and . TRENDS IN BIOCHEMICAL SCIENCES, 25 (7): 331-339 (July 2000)Ph-dependence of protein stability: absolute electrostatic free energy differences between conformations, , and . J. Phys. Chem. B, 101 (9): 1663--1683 (1997)Theoretical approaches to solvation of bio-polymers, and . Methods in Enzymology, (1986)Harmonic-analysis of large systems .1. methodology, , and . J. Comp. Chem., 16 (12): 1522--1542 (1995)Protein dynamics - application to active-sites of enzymes, , and . Abstracts of Papers of the American Chemical Society, 189 (APR-): 6--MEDI (1985)RESEARCH ARTICLES Effective Energy Function for Proteins in Solution, and . PROTEINS: Structure, Function, and Genetics, (1999)Enhanced sampling in molecular dynamics: use of the time-dependent Hartree approximation for a simulation of carbon monoxide diffusion through myoglobin, and . Journal of the American Chemical Society, 112 (25): 9161-9175 (1990)CHARMM: The biomolecular simulation program, , , , , , , , , and 25 other author(s). Journal of Computational Chemistry, 30 (10): 1545--1614 (2009)Molecular dynamics of biological macromolecules: A brief history and perspective. BIOPOLYMERS, 68 (3): 350-358 (March 2003)Molecular dynamics of biological macromolecules: A brief history and perspective Biopolymers Volume 68, Issue 3, Date: March 2003, Pages: 350-358 Martin Karplus.Conjugate Peak Refinement : an algorithm for finding reaction paths and accurate transition states in systems with many degrees of freedom, and . Chemical Physics Letters, (1992)