Citation: De. Sagnella et Je. Straub, Directed energy "Funneling" mechanism for heme cooling following ligand photolysis or direct excitation in solvated carbonmonoxy myoglobin, J PHYS CH B, 105(29), 2001, pp. 7057-7063
Citation: Nv. Buchete et Je. Straub, Mean first-passage time calculations for the coil-to-helix transition: Theactive helix Ising model, J PHYS CH B, 105(28), 2001, pp. 6684-6697
Citation: I. Andricioaei et al., Simulation of quantum systems using path integrals in a generalized ensemble, CHEM P LETT, 346(3-4), 2001, pp. 274-282
Citation: F. Massi et Je. Straub, Probing the origins of increased activity of the E22Q "Dutch" mutant Alzheimer's beta-amyloid peptide, BIOPHYS J, 81(2), 2001, pp. 697-709
Citation: F. Massi et al., Simulation study of the structure and dynamics of the Alzheimer's amyloid peptide congener in solution, BIOPHYS J, 80(1), 2001, pp. 31-44
Citation: De. Sagnella et al., Time scales and pathways for kinetic energy relaxation in solvated proteins: Application to carbonmonoxy myoglobin, J CHEM PHYS, 113(17), 2000, pp. 7702-7711
Citation: Sh. Huo et Je. Straub, Direct computation of long time processes in peptides and proteins: Reaction path study of the coil-to-helix transition in polyalanine, PROTEINS, 36(2), 1999, pp. 249-261
Citation: Je. Straub et I. Andricioaei, Computational methods inspired by Tsallis statistics: Monte Carlo and molecular dynamics algorithms for the simulation of classical and quantum systems, BRAZ J PHYS, 29(1), 1999, pp. 179-186
Authors:
Sagnella, DE
Straub, JE
Jackson, TA
Lim, M
Anfinrud, PA
Citation: De. Sagnella et al., Vibrational population relaxation of carbon monoxide in the heme pocket ofphotolyzed carbonmonoxy myoglobin: Comparison of time-resolved mid-IR absorbance experiments and molecular dynamics simulations, P NAS US, 96(25), 1999, pp. 14324-14329
Citation: De. Sagnella et Je. Straub, A study of vibrational relaxation of B-state carbon monoxide in the heme pocket of photolyzed carboxymyoglobin, BIOPHYS J, 77(1), 1999, pp. 70-84