TY - Generic T1 - Measurements and Calculations of Protein Intramolecular Vibrations in the THz Range T2 - 2014 39th International Conference on Infrared, Millimeter, and Terahertz Waves Y1 - 2014 A1 - Niessen, K. A. A1 - Snell, E. A1 - Markelz, A. G. KW - charmm AB -

We report the calculations and measurements of intramolecular vibrational modes and their dependence on inhibitor binding in the THz range. We see an increase in anisotropic THz absorption at low frequency with inhibitor binding in both the measurements and calculations. This surprising result suggests an increase in flexibility with binding. We will discuss the possible reasons for this discrepancy.

JF - 2014 39th International Conference on Infrared, Millimeter, and Terahertz Waves T3 - International Conference on Infrared Millimeter and Terahertz Waves PB - Ieee CY - New York SN - 978-1-4799-3877-3 N1 - ISI Document Delivery No.: BF0IL
Times Cited: 0
Cited Reference Count: 13
Cited References:
Acbas G, 2014, NAT COMMUN, V5, DOI 10.1038/ncomms4076
Balog E, 2004, PHYS REV LETT, V93, DOI 10.1103/PhysRevLett.93.028103
Best RB, 2012, J CHEM THEORY COMPUT, V8, P3257, DOI 10.1021/ct300400x
BROOKS BR, 1983, J COMPUT CHEM, V4, P187, DOI 10.1002/jcc.540040211
BRUCCOLERI RE, 1986, BIOPOLYMERS, V25, P1767, DOI 10.1002/bip.360250916
CHEETHAM JC, 1992, J MOL BIOL, V224, P613, DOI 10.1016/0022-2836(92)90548-X
Dong J, 1999, ACTA CRYSTALLOGR D, V55, P745, DOI 10.1107/S0907444998016047
Guo JN, 2014, BIOCHEMISTRY-US, V53, P2855, DOI 10.1021/bi500238q
Hammes-Schiffer S, 2006, ANNU REV BIOCHEM, V75, P519, DOI 10.1146/annurev.biochem.75.103004.142800
Henzler-Wildman KA, 2007, NATURE, V450, P838, DOI 10.1038/nature06410
Jo S, 2008, J COMPUT CHEM, V29, P1859, DOI 10.1002/jcc.20945
PERUTZ MF, 1970, NATURE, V228, P726, DOI 10.1038/228726a0
TEETER MM, 1990, J PHYS CHEM-US, V94, P8091, DOI 10.1021/j100384a021
Niessen, Katherine A. Snell, Edward Markelz, A. G.
Irmmw-thz
Proceedings Paper
39th International Conference on Infrared, Millimeter, and Terahertz waves (IRMMW-THz)
Sep 14-19, 2014
Tucson, AZ
THORLABS, Tydex, TOPTICA Photon, Bruker, Gentec EO, Lake Shore Cryotron, Ekspla, Zomega, TeraSense, Insight Product, Emcore, QMC Instruments, TeraView, NeaSpec, Advantest, MenloSystems, Traycer, Microtech Instruments Inc, LongWave Photon, Virginia Diodes Inc, ASU, MTT S, Journal Infrared Millimeter & Tera Hertz Waves, Tera Hertz Sci & Technol, Army Res Off
Snell, Edward/G-2055-2018
Snell, Edward/0000-0001-8714-3191
345 e 47th st, new york, ny 10017 usa
2162-2027 ER - TY - Generic T1 - Measuring phonons in protein crystals T2 - Ultrafast Phenomena and Nanophotonics Xvii Y1 - 2013 A1 - Acbas, G. A1 - Niessen, K. A. A1 - George, D. K. A1 - Snell, E. A1 - Markelz, A. G. ED - Betz, M. ED - Elezzabi, A. Y. ED - Song, J. J. ED - Tsen, K. T. KW - correlated motions KW - dynamics KW - mode KW - molecular crystals KW - molecular vibrations KW - normal modes KW - phonons KW - protein dynamics KW - spectroscopy KW - Terahertz AB -

Using Terahertz near field microscopy we find orientation dependent narrow band absorption features for lysozyme crystals. Here we discuss identification of protein collective modes associated with the observed features. Using normal mode calculations we find good agreement with several of the measured features, suggesting that the modes arise from internal molecular motions and not crystal phonons. Such internal modes have been associated with protein function.

JF - Ultrafast Phenomena and Nanophotonics Xvii T3 - Proceedings of SPIE PB - Spie-Int Soc Optical Engineering CY - Bellingham VL - 8623 SN - 978-0-8194-9392-7 N1 - ISI Document Delivery No.: BGG42
Times Cited: 0
Cited Reference Count: 5
Cited References:
Bahar I, 2005, CURR OPIN STRUC BIOL, V15, P586, DOI 10.1016/j.sbi.2005.08.007
BROOKS B, 1985, P NATL ACAD SCI USA, V82, P4995, DOI 10.1073/pnas.82.15.4995
BROOKS BR, 1983, J COMPUT CHEM, V4, P187, DOI 10.1002/jcc.540040211
Karplus M, 2005, P NATL ACAD SCI USA, V102, P6679, DOI 10.1073/pnas.0408930102
Planken PCM, 2011, J INFRARED MILLIM TE, V32, P975, DOI 10.1007/s10762-011-9824-3
Acbas, Gheorghe Niessen, Katherine A. George, Deepu K. Snell, Edward Markelz, A. G.
Proceedings Paper
Conference on Ultrafast Phenomena and Nanophotonics XVII
Feb 03-06, 2013
San Francisco, CA
SPIE, Femtolasers Inc
Snell, Edward/G-2055-2018; George, Deepu/J-9882-2014
Snell, Edward/0000-0001-8714-3191; George, Deepu/0000-0003-0021-0705; Markelz, Andrea/0000-0003-0443-4319
National Science Foundation MRI2 [DBI2959989]
We thank the National Science Foundation MRI2 grant DBI2959989 for support.
1000 20th st, po box 10, bellingham, wa 98227-0010 usa
0277-786x
862305 ER -