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Determination of equilibrium properties of biomolecular systems using multidimensional adaptive umbrella sampling

, , and . J. Chem. Phys., 111 (17): 8048--8067 (1999)

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Adaptive umbrella sampling of the potential energy: modified updating procedure of the umbrella potential and application to peptide folding, , and . Theor. Chem. Acc., 101 (1-3): 62--66 (1999)CHARMM: The biomolecular simulation program, , , , , , , , , and 25 other author(s). Journal of Computational Chemistry, 30 (10): 1545--1614 (2009)Symbol Security Condition Considered Harmful.. S&P, page 20-46. IEEE Computer Society, (1989)Electrostatic contributions to molecular free energies in solution, , and . Advances in protein chemistry, vol 51, volume 51 of Advances in Protein Chemistry, (1998)Solution conformations of structured peptides: continuum electrostatics versus distance-dependent dielectric functions, , and . Theor. Chem. Acc., 101 (1-3): 194--204 (1999)Theoretical evaluation of pk(a) in phosphoranes: implications for phosphate ester hydrolysis, , , and . J. Am. Chem. Soc., 124 (18): 5010--5018 (2002)CHARMM: The biomolecular simulation program, , , , , , , , , and 25 other author(s). J. Comput. Chem., 30 (10): 1545--1614 (2009)A Large Hadron Electron Collider at CERN, , , , , , , , , and 198 other author(s). (Nov 20, 2012)Toward an Understanding of Extensible Architectures for Evaluated Trusted Computer System Products., and . S&P, page 41-51. IEEE Computer Society, (1984)Ph-dependence of protein stability: absolute electrostatic free energy differences between conformations, , and . J. Phys. Chem. B, 101 (9): 1663--1683 (1997)