A Further Implementation of the Rotational Symmetry Boundary Conditions for Calculations of P43212 Symmetry Crystals
Tài liệu tham khảo
Kitson, 1993, On achieving better than 1-Å accuracy in a simulation of a large protein, Proc. Natl. Acad. Sci. U.S.A., 90, 8920, 10.1073/pnas.90.19.8920
Mathiowetz, 1994, Protein simulations using techniques suitable for very large systems, Proteins, 20, 227, 10.1002/prot.340200304
Saito, 1994, Molecular dynamics simulations of proteins in solution, J. Chem. Phys., 101, 4055, 10.1063/1.468411
York, 1994, Atomic-level accuracy in simulations of large protein crystals, Proc. Natl. Acad. Sci. U.S.A., 91, 8715, 10.1073/pnas.91.18.8715
Cheatham, 1995, Molecular dynamics simulations on solvated biomolecular systems, J. Am. Chem. Soc., 117, 4193, 10.1021/ja00119a045
Cagin, 1991, A method for modeling icosahedral virions, J. Comput. Chem., 12, 627, 10.1002/jcc.540120513
Yoneda, 1992, Free energy perturbation calculations on multiple mutation bases, J. Chem. Phys., 97, 6730, 10.1063/1.463650
Yoneda, 1996, Molecular dynamics simulation of a rhinovirus capsid under rotational symmetry boundary conditions, J. Comput. Chem., 17, 191, 10.1002/(SICI)1096-987X(19960130)17:2<191::AID-JCC7>3.0.CO;2-R
Barford, 1991, Structural mechanism for glycogen phosphorylase control by phosphorylation and AMP, J. Mol. Biol., 218, 233, 10.1016/0022-2836(91)90887-C
Bernstein, 1977, The Protein Data Bank, J. Mol. Biol., 112, 535, 10.1016/S0022-2836(77)80200-3
Weiner, 1984, A new force field for molecular mechanical simulation of nucleic acids and proteins, J. Am. Chem. Soc., 106, 765, 10.1021/ja00315a051
Wampler, 1995, Electrostatic potential derived charges for enzyme cofactors, J. Chem. Inf. Comput. Sci., 35, 617, 10.1021/ci00025a033
van Gunsteren, 1977, Algorithms for macromolecular dynamics and constraint dynamics, Mol. Phys., 34, 1311, 10.1080/00268977700102571
Sayle, 1995, RASMOL, Trends Biochem. Sci., 20, 374, 10.1016/S0968-0004(00)89080-5
York, 1993, Molecular dynamics simulation of HIV-1 protease in a crystalline environment and in solution, Biochemistry, 32, 1443, 10.1021/bi00057a007