Browsing by Subject "Molecular dynamics"

Now showing items 1-20 of 40

    • Article  

      Amyloid-like self-assembly of a dodecapeptide sequence from the adenovirus fiber shaft: Perspectives from molecular dynamics simulations 

      Tamamis, Phanourios; Archontis, Georgios Z. (2011)
      Peptide and protein self-assembly is related to the fundamental problems of protein folding and misfolding and has potential applications in medicine, materials science and nanotechnology. Sequence repeats from self-assembling ...
    • Article  

      Amyloid-like self-assembly of peptide sequences from the adenovirus fiber shaft: Insights from molecular dynamics simulations 

      Tamamis, Phanourios; Kasotakis, E.; Mitraki, A.; Archontis, Georgios Z. (2009)
      The self-assembly of peptides and proteins into nanostructures is related to the fundamental problems of protein folding and misfolding and has potential applications in medicine, materials science and nanotechnology. ...
    • Article  

      Analysis of depolarization ratios of ClNO2 dissolved in methanol 

      Trimithioti, Marilena; Akimov, A. V.; Prezhdo, O. V.; Hayes, Sophia C. (2014)
      A detailed analysis of the resonance Raman depolarization ratio dispersion curve for the N-O symmetric stretch of nitryl chloride in methanol at excitation wavelengths spanning the D absorption band is presented. The ...
    • Article  

      CHARMM: The biomolecular simulation program 

      Brooks, B. R.; Brooks III, C. L.; Mackerell Jr., A. D.; Nilsson, L.; Petrella, R. J.; Roux, B.; Won, Y.; Archontis, Georgios Z.; Bartels, C.; Boresch, S.; Caflisch, A.; Caves, L.; Cui, Q.; Dinner, A. R.; Feig, M.; Fischer, S.; Gao, J.; Hodoscek, M.; Im, W.; Kuczera, K.; Lazaridis, T.; Ma, J.; Ovchinnikov, V.; Paci, E.; Pastor, R. W.; Post, C. B.; Pu, J. Z.; Schaefer, M.; Tidor, B.; Venable, R. M.; Woodcock, H. L.; Wu, X.; Yang, W.; York, D. M.; Karplus, M. (2009)
      CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and widely used molecular simulation program. It has been developed over the last three decades with a primary focus on molecules of biological interest, ...
    • Article  

      Combination of theoretical and experimental approaches for the design and study of fibril-forming peptides 

      Tamamis, Phanourios; Kasotakis, E.; Archontis, Georgios Z.; Mitraki, A. (2014)
      Self-assembling peptides that can form supramolecular structures such as fibrils, ribbons, and nanotubes are of particular interest to modern bionanotechnology and materials science. Their ability to form biocompatible ...
    • Article  

      Conformational analysis of compstatin analogues with molecular dynamics simulations in explicit water 

      Tamamis, Phanourios; Skourtis, Spiros S.; Morikis, D.; Lambris, J. D.; Archontis, Georgios Z. (2007)
      The cyclic 13-residue peptide compstatin is a potential therapeutic agent against the unregulated activation of the complement system. A thorough knowledge of its structural and dynamical properties in solution may assist ...
    • Doctoral Thesis  Open Access

      Controlling electron and exciton transfer paths in molecular systems 

      Antoniou, Panayiotis F. (Πανεπιστήμιο Κύπρου, Σχολή Θετικών και Εφαρμοσμένων Επιστημών / University of Cyprus, Faculty of Pure and Applied Sciences, 2017-05)
      Η παρούσα Διδακτορική Διατριβή επικεντρώνεται στη μελέτη των μηχανισμών αντιδράσεων μεταφοράς ηλεκτρονίου (ΜΗΛ) και μεταφοράς ενέργειας (ΜΕΝ) σε μοριακά συστήματα. Ο κύριος στόχος της ερευνητικής μου δραστηριότητας ήταν ...
    • Article  

      Cross-section-constrained top-quark mass measurement from dilepton events at the tevatron 

      Aaltonen, T.; Adelman, J.; Akimoto, T.; Albrow, M. G.; Ãlvarez Gonzãlez, B.; Amerio, S.; Amidei, D.; Anastassov, A.; Annovi, A.; Antos, J.; Aoki, M.; Apollinari, G.; Apresyan, A.; Arisawa, T.; Artikov, A.; Ashmanskas, W.; Attal, A.; Aurisano, A.; Azfar, F.; Azzi-Bacchetta, P.; Azzurri, P.; Bacchetta, N.; Badgett, W.; Barbaro-Galtieri, A.; Barnes, V. E.; Barnett, B. A.; Baroiant, S.; Bartsch, V.; Bauer, G.; Beauchemin, P. -H; Bedeschi, F.; Bednar, P.; Behari, S.; Bellettini, G.; Bellinger, J.; Belloni, A.; Benjamin, D.; Beretvas, Andrew; Beringer, J.; Berry, T.; Bhatti, A.; Binkley, M.; Bisello, D.; Bizjak, I.; Blair, R. E.; Blocker, C.; Blumenfeld, B.; Bocci, A.; Bodek, A.; Boisvert, V.; Bolla, G.; Bolshov, A.; Bortoletto, D.; Boudreau, J.; Boveia, A.; Brau, B.; Bridgeman, A.; Brigliadori, L.; Bromberg, C.; Brubaker, E.; Budagov, J.; Budd, H. S.; Budd, S.; Burkett, K.; Busetto, G.; Bussey, P.; Buzatu, A.; Byrum, K. L.; Cabrera, S.; Campanelli, M.; Campbell, M.; Canelli, Florencia M.; Canepa, A.; Carlsmith, D.; Carosi, R.; Carrillo, S.; Carron, S.; Casal, B.; Casarsa, M.; Castro, A.; Catastini, P.; Cauz, D.; Cavalli-Sforza, M.; Cerri, A.; Cerrito, L.; Chang, S. H.; Chen, Y. C.; Chertok, M.; Chiarelli, G.; Chlachidze, G.; Chlebana, F.; Cho, K.; Chokheli, D.; Chou, J. P.; Choudalakis, G.; Chuang, S. H.; Chung, K.; Chung, W. H.; Chung, Y. S.; Ciobanu, C. I.; Ciocci, M. A.; Clark, A.; Clark, D.; Compostella, G.; Convery, M. E.; Conway, J.; Cooper, B.; Copic, K.; Cordelli, M.; Cortiana, G.; Crescioli, F.; Cuenca Almenar, C.; Cuevas, J.; Culbertson, R.; Cully, J. C.; Dagenhart, D.; Datta, M.; Davies, T.; De Barbaro, P.; Dececco, S.; Deisher, A.; De Lentdecker, Gilles; De Lorenzo, G.; Dell'Orso, M.; Demortier, L.; Deng, J.; Deninno, M.; De Pedis, D.; Derwent, P. F.; Di Giovanni, G. P.; Dionisi, Carlo; Di Ruzza, B.; Dittmann, J. R.; D'Onofrio, M.; Donati, S.; Dong, P.; Donini, J.; Dorigo, T.; Dube, S.; Efron, J.; Erbacher, R.; Errede, D.; Errede, S.; Eusebi, R.; Fang, H. C.; Farrington, S.; Fedorko, W. T.; Feild, R. G.; Feindt, M.; Fernandez, J. P.; Ferrazza, C.; Field, R.; Flanagan, G.; Forrest, R.; Forrester, S.; Franklin, M.; Freeman, J. C.; Furic, I.; Gallinaro, M.; Galyardt, J.; Garberson, F.; Garcia, J. E.; Garfinkel, A. F.; Gerberich, H.; Gerdes, D.; Giagu, S.; Giakoumopolou, V.; Giannetti, P.; Gibson, K.; Gimmell, J. L.; Ginsburg, C. M.; Giokaris, N.; Giordani, M.; Giromini, P.; Giunta, M.; Glagolev, V.; Glenzinski, D.; Gold, M.; Goldschmidt, N.; Golossanov, A.; Gomez, G.; Gomez-Ceballos, G.; Goncharov, M.; González, O.; Gorelov, I.; Goshaw, A. T.; Goulianos, Konstantin; Gresele, A.; Grinstein, S.; Grosso-Pilcher, C.; Group, R. C.; Grundler, U.; Guimaraes Da Costa, J.; Gunay-Unalan, Z.; Haber, C.; Hahn, K.; Hahn, S. R.; Halkiadakis, Eva; Hamilton, A.; Han, B. -Y; Han, J. Y.; Handler, R.; Happacher, F.; Hara, K.; Hare, D.; Hare, M.; Harper, S.; Harr, R. F.; Harris, R. M.; Hartz, M.; Hatakeyama, K.; Hauser, J.; Hays, C.; Heck, M.; Heijboer, A.; Heinemann, B.; Heinrich, J.; Henderson, C.; Herndon, M.; Heuser, J.; Hewamanage, S.; Hidas, D.; Hill, C. S.; Hirschbuehl, D.; Hocker, A.; Hou, S.; Houlden, M.; Hsu, S. -C; Huffman, B. T.; Hughes, R. E.; Husemann, U.; Huston, J.; Incandela, J.; Introzzi, G.; Iori, M.; Ivanov, A.; Iyutin, B.; James, E.; Jayatilaka, B.; Jeans, D.; Jeon, E. J.; Jindariani, S.; Johnson, W.; Jones, M.; Joo, K. K.; Jun, S. Y.; Jung, J. E.; Junk, T. R.; Kamon, T.; Kar, D.; Karchin, P. E.; Kato, Y.; Kephart, R.; Kerzel, U.; Khotilovich, V.; Kilminster, B.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, M. J.; Kim, S. B.; Kim, S. H.; Kim, Y. K.; Kimura, N.; Kirsch, L.; Klimenko, S.; Klute, M.; Knuteson, B.; Ko, B. R.; Koay, S. A.; Kondo, K.; Kong, D. J.; Konigsberg, J.; Korytov, A.; Kotwal, A. V.; Kraus, J.; Kreps, M.; Kroll, J.; Krumnack, N.; Kruse, M.; Krutelyov, V.; Kubo, T.; Kuhlmann, S. E.; Kuhr, T.; Kulkarni, N. P.; Kusakabe, Y.; Kwang, S.; Laasanen, A. T.; Lai, S.; Lami, S.; Lammel, S.; Lancaster, M.; Lander, R. L.; Lannon, K.; Lath, A.; Latino, G.; Lazzizzera, I.; Lecompte, T.; Lee, J.; Lee, J.; Lee, Y. J.; Lee, S. W.; Lefèvre, R.; Leonardo, N.; Leone, S.; Levy, S.; Lewis, J. D.; Lin, C.; Lin, C. S.; Linacre, J.; Lindgren, M.; Lipeles, E.; Lister, A.; Litvintsev, D. O.; Liu, T.; Lockyer, N. S.; Loginov, A.; Loreti, M.; Lovas, L.; Lu, R. -S; Lucchesi, D.; Lueck, J.; Luci, C.; Lujan, P.; Lukens, P.; Lungu, G.; Lyons, L.; Lys, J.; Lysak, R.; Lytken, E.; MacK, P.; MacQueen, D.; Madrak, R.; Maeshima, K.; Makhoul, K.; Maki, T.; Maksimovic, P.; Malde, S.; Malik, S.; Manca, G.; Manousakis, A.; Margaroli, F.; Marino, C.; Marino, C. P.; Martin, A.; Martin, M.; Martin, V.; Martínez, M.; Martínez-Ballarín, R.; Maruyama, T.; Mastrandrea, P.; Masubuchi, T.; Mattson, M. E.; Mazzanti, P.; McFarland, K. S.; McIntyre, P.; McNulty, R.; Mehta, A.; Mehtala, P.; Menzemer, S.; Menzione, A.; Merkel, P.; Mesropian, C.; Messina, A.; Miao, T.; Miladinovic, N.; Miles, J.; Miller, R.; Mills, C.; Milnik, M.; Mitra, A.; Mitselmakher, G.; Miyake, H.; Moed, S.; Moggi, N.; Moon, C. S.; Moore, R.; Morello, M.; Movilla Fernández, Pedro A.; Mülmenstädt, J.; Mukherjee, A.; Muller, T.; Mumford, R.; Murat, P.; Mussini, M.; Nachtman, J.; Nagai, Y.; Nagano, A.; Naganoma, J.; Nakamura, K.; Nakano, I.; Napier, A.; Necula, V.; Neu, C.; Neubauer, M. S.; Nielsen, J.; Nodulman, L.; Norman, M.; Norniella, O.; Nurse, E.; Oh, S. H.; Oh, Y. D.; Oksuzian, I.; Okusawa, T.; Oldeman, R.; Orava, R.; Osterberg, K.; Pagan Griso, S.; Pagliarone, C.; Palencia, E.; Papadimitriou, Vaia; Papaikonomou, A.; Paramonov, A. A.; Parks, B.; Pashapour, S.; Patrick, J.; Pauletta, G.; Paulini, M.; Paus, C.; Pellett, D. E.; Penzo, A.; Phillips, T. J.; Piacentino, G.; Piedra, J.; Pinera, L.; Pitts, K.; Plager, C.; Pondrom, L.; Portell, X.; Poukhov, O.; Pounder, N.; Prakoshyn, F.; Pronko, A.; Proudfoot, J.; Ptohos, Fotios; Punzi, G.; Pursley, J.; Rademacker, J.; Rahaman, A.; Ramakrishnan, V.; Ranjan, N.; Redondo, I.; Reisert, B.; Rekovic, V.; Renton, P.; Rescigno, M.; Richter, S.; Rimondi, F.; Ristori, L.; Robson, A.; Rodrigo, T.; Rogers, E.; Rolli, S.; Roser, R.; Rossi, M.; Rossin, R.; Roy, P.; Ruiz, A.; Russ, J.; Rusu, V.; Saarikko, H.; Safonov, A.; Sakumoto, W. K.; Salamanna, G.; Saltó, O.; Santi, L.; Sarkar, S.; Sartori, L.; Sato, K.; Savoy-Navarro, A.; Scheidle, T.; Schlabach, P.; Schmidt, E. E.; Schmidt, M. A.; Schmidt, M. P.; Schmitt, M.; Schwarz, T.; Scodellaro, L.; Scott, A. L.; Scribano, A.; Scuri, F.; Sedov, A.; Seidel, S.; Seiya, Y.; Semenov, A.; Sexton-Kennedy, L.; Sfyria, A.; Shalhout, S. Z.; Shapiro, M. D.; Shears, T.; Shepard, P. F.; Sherman, D.; Shimojima, M.; Shochet, M.; Shon, Y.; Shreyber, I.; Sidoti, A.; Sinervo, P.; Sisakyan, A.; Slaughter, A. J.; Slaunwhite, J.; Sliwa, K.; Smith, J. R.; Snider, F. D.; Snihur, R.; Soderberg, M.; Soha, A.; Somalwar, S.; Sorin, V.; Spalding, J.; Spinella, F.; Spreitzer, T.; Squillacioti, P.; Stanitzki, M.; St. Denis, R.; Stelzer, B.; Stelzer-Chilton, O.; Stentz, D.; Strologas, John; Stuart, D.; Suh, J. S.; Sukhanov, A.; Sun, H.; Suslov, I.; Suzuki, T.; Taffard, A.; Takashima, R.; Takeuchi, Y.; Tanaka, R.; Tecchio, M.; Teng, P. K.; Terashi, K.; Thom, J.; Thompson, A. S.; Thompson, G. A.; Thomson, E.; Tipton, P.; Tiwari, V.; Tkaczyk, S.; Toback, D.; Tokar, S.; Tollefson, K.; Tomura, T.; Tonelli, D.; Torre, S.; Torretta, D.; Tourneur, S.; Trischuk, W.; Tu, Y.; Turini, N.; Ukegawa, F.; Uozumi, S.; Vallecorsa, S.; Van Remortel, Nick; Varganov, A.; Vataga, E.; Vázquez, F.; Velev, G.; Vellidis, C.; Veszprémi, V.; Vidal, M.; Vidal, R.; Vila, I.; Vilar, R.; Vine, T.; Vogel, M.; Volobouev, I.; Volpi, G.; Würthwein, F.; Wagner, P.; Wagner, R. G.; Wagner, R. L.; Wagner-Kuhr, J.; Wagner, W.; Wakisaka, T.; Wallny, R.; Wang, S. M.; Warburton, A.; Waters, D.; Weinberger, M.; Wester, W. C.; Whitehouse, B.; Whiteson, D.; Wicklund, A. B.; Wicklund, E.; Williams, G.; Williams, H. H.; Wilson, P.; Winer, B. L.; Wittich, P.; Wolbers, S.; Wolfe, C.; Wright, T.; Wu, X.; Wynne, S. M.; Yagil, A.; Yamamoto, K.; Yamaoka, J.; Yamashita, T.; Yang, C.; Yang, U. K.; Yang, Y. C.; Yao, W. M.; Yeh, G. P.; Yoh, J.; Yorita, K.; Yoshida, T.; Yu, G. B.; Yu, I.; Yu, S. S.; Yun, J. C.; Zanello, L.; Zanetti, A.; Zaw, I.; Zhang, X.; Zheng, Y.; Zucchelli, S. (2008)
      We report the first top-quark mass measurement that uses a cross-section constraint to improve the mass determination. This measurement is made with a dilepton tt̄ event candidate sample collected with the Collider Detector ...
    • Article  

      Crystallographic and computational studies on 4-phenyl-N-(β-D- glucopyranosyl)-1H-1,2, 3-triazole-1-acetamide, an inhibitor of glycogen phosphorylase: Comparison with α-D-glucose, N-acetyl-β-D- glucopyranosylamine and N-benzoyl-N′-β-D-glucopyranosyl urea binding 

      Alexacou, Kyra Melinda; Hayes, Joseph M.; Tiraidis, Costas; Zographos, Spyros E.; Leonidas, Demetres D.; Chrysina, Evangelia D.; Archontis, Georgios Z.; Oikonomakos, Nikos G.; Paul, J. V.; Varghese, B.; Loganathan, D. (2008)
      4-Phenyl-N-(β-D-glucopyranosyl)-1H-1,2,3-triazole-1-acetamide (glucosyltriazolylacetamide) has been studied in kinetic and crystallographic experiments with glycogen phosphorylase b (GPb), in an effort to utilize its ...
    • Article  

      The density of water in carbon nanotubes 

      Alexiadis, A.; Kassinos, Stavros C. (2008)
      In this paper, the density of water confined in carbon nanotubes of different sizes and chirality is calculated. Molecular dynamics is used to simulate the spontaneous filling of the nanotube with water molecules coming ...
    • Article  

      Design of a modified mouse protein with ligand binding properties of its human analog by molecular dynamics simulations: The case of C3 inhibition by compstatin 

      Tamamis, Phanourios; Pierou, P.; Mytidou, C.; Floudas, C. A.; Morikis, D.; Archontis, Georgios Z. (2011)
      The peptide compstatin and its derivatives inhibit the complement-component protein C3 in primate mammals and are potential therapeutic agents against the unregulated activation of complement in humans, but are inactive ...
    • Doctoral Thesis  Open Access

      Development and application of efficient and accurate free-energy models and methodologies for high-throughput computational protein design 

      Michael, Eleni M. (Πανεπιστήμιο Κύπρου, Σχολή Θετικών και Εφαρμοσμένων Επιστημών / University of Cyprus, Faculty of Pure and Applied Sciences, 2020-09)
      Ο υπολογιστικός σχεδιασμός πρωτεϊνών (ΥΣΠ) αποτελεί σημαντικό εργαλείο της βιοτεχνολογίας, με ποικίλες πετυχημένες εφαρμογές τα τελευταία χρόνια, στις οποίες συγκαταλέγονται η δημιουργία καινούριων ή τροποποιημένων πρωτεϊνών ...
    • Article  

      Dielectric relaxation in an enzyme active site: Molecular dynamics simulations interpreted with a macroscopic continuum model 

      Archontis, Georgios Z.; Simonson, T. (2001)
      Dielectric relaxation plays an important role in many chemical processes in proteins, including acid-base titration, ligand binding, and charge transfer reactions. Its complexity makes experimental characterization difficult, ...
    • Article  

      Effects of hofmeister anions on DPPC langmuir monolayers at the air-water interface 

      Aroti, Andria; Leontidis, Epameinondas; Maltseva, E.; Brezesinski, G. (2004)
      In this work we investigated the effect of sodium salts of different monovalent anions belonging to the Hofmeister series on Langmuir monolayers of DPPC (1,2-dipalmitoyl phosphatidylcholine). The salts used were NaCl, NaBr, ...
    • Article  

      Electron transfer through fluctuating bridges: On the validity of the superexchange mechanism and time-dependent tunneling matrix elements 

      Skourtis, Spiros S.; Archontis, Georgios Z.; Xie, Q. (2001)
      An attempt is made to find the most general description of the superexchange mechanism that is valid for time-dependent donor-bridge-acceptor systems. Time-dependent electron-transfer probabilities that involve single MD ...
    • Article  

      Evidence for diquarks in lattice QCD 

      Alexandrou, Constantia; De Forcrand, Ph; Lucini, B. (2006)
      Diquarks may play an important role in hadron spectroscopy, baryon decays, and color superconductivity. We investigate the existence of diquark correlations in lattice QCD by considering systematically all the lowest energy ...
    • Article  

      Femtosecond UV pump/near-IR probe studies of the solvent-dependent excited-state decay dynamics of chlorine dioxide 

      Hayes, Sophia C.; Cooksey, C. C.; Wallace, P. M.; Reid, P. J. (2001)
      The excited-state decay and geminate-recombination dynamics of chlorine dioxide (OClO) are investigated using UV pump/near-IR probe spectroscopy. Experiments are performed with 200-fs time resolution on OClO dissolved in ...
    • Article  

      Fine-grain parallelism using multi-core, Cell/BE, and GPU systems 

      Pratas, F.; Trancoso, Pedro; Sousa, L.; Stamatakis, A.; Shi, G.; Kindratenko, V. (2012)
      Currently, we are facing a situation where applications exhibit increasing computational demands and where a large variety of parallel processor systems are available. In this paper we focus on exploiting fine-grain ...
    • Article  

      First measurement of the ratio of central-electron to forward-electron W partial cross sections in pp̄ collisions at s=1.96TeV 

      Abulencia, A.; Adelman, J.; Affolder, T.; Akimoto, T.; Albrow, M. G.; Amerio, S.; Amidei, D.; Anastassov, A.; Anikeev, K.; Annovi, A.; Antos, J.; Aoki, M.; Apollinari, G.; Arisawa, T.; Artikov, A.; Ashmanskas, W.; Attal, A.; Aurisano, A.; Azfar, F.; Azzi-Bacchetta, P.; Azzurri, P.; Bacchetta, N.; Badgett, W.; Barbaro-Galtieri, A.; Barnes, V. E.; Barnett, B. A.; Baroiant, S.; Bartsch, V.; Bauer, G.; Beauchemin, P. -H; Bedeschi, F.; Behari, S.; Bellettini, G.; Bellinger, J.; Belloni, A.; Benjamin, D.; Beretvas, Andrew; Beringer, J.; Berry, T.; Bhatti, A.; Binkley, M.; Bisello, D.; Bizjak, I.; Blair, R. E.; Blocker, C.; Blumenfeld, B.; Bocci, A.; Bodek, A.; Boisvert, V.; Bolla, G.; Bolshov, A.; Bortoletto, D.; Boudreau, J.; Boveia, A.; Brau, B.; Brigliadori, L.; Bromberg, C.; Brubaker, E.; Budagov, J.; Budd, H. S.; Budd, S.; Burkett, K.; Busetto, G.; Bussey, P.; Buzatu, A.; Byrum, K. L.; Cabrera, S.; Campanelli, M.; Campbell, M.; Canelli, Florencia M.; Canepa, A.; Carillo, S.; Carlsmith, D.; Carosi, R.; Carron, S.; Casal, B.; Casarsa, M.; Castro, A.; Catastini, P.; Cauz, D.; Cavalli-Sforza, M.; Cerri, A.; Cerrito, L.; Chang, S. H.; Chen, Y. C.; Chertok, M.; Chiarelli, G.; Chlachidze, G.; Chlebana, F.; Cho, I.; Cho, K.; Chokheli, D.; Chou, J. P.; Choudalakis, G.; Chuang, S. H.; Chung, K.; Chung, W. H.; Chung, Y. S.; Cilijak, M.; Ciobanu, C. I.; Ciocci, M. A.; Clark, A.; Clark, D.; Coca, M.; Compostella, G.; Convery, M. E.; Conway, J.; Cooper, B.; Copic, K.; Cordelli, M.; Cortiana, G.; Crescioli, F.; Almenar, C. C.; Cuevas, J.; Culbertson, R.; Cully, J. C.; Daronco, S.; Datta, M.; D'Auria, S.; Davies, T.; Dagenhart, D.; De Barbaro, P.; De Cecco, S.; Deisher, A.; De Lentdecker, Gilles; De Lorenzo, G.; Dell'Orso, M.; Delli Paoli, F.; Demortier, L.; Deng, J.; Deninno, M.; De Pedis, D.; Derwent, P. F.; Di Giovanni, G. P.; Dionisi, Carlo; Di Ruzza, B.; Dittmann, J. R.; D'Onofrio, M.; Dörr, C.; Donati, S.; Dong, P.; Donini, J.; Dorigo, T.; Dube, S.; Efron, J.; Erbacher, R.; Errede, D.; Errede, S.; Eusebi, R.; Fang, H. C.; Farrington, S.; Fedorko, I.; Fedorko, W. T.; Feild, R. G.; Feindt, M.; Fernandez, J. P.; Field, R.; Flanagan, G.; Forrest, R.; Forrester, S.; Franklin, M.; Freeman, J. C.; Furic, I.; Gallinaro, M.; Galyardt, J.; Garcia, J. E.; Garberson, F.; Garfinkel, A. F.; Gay, C.; Gerberich, H.; Gerdes, D.; Giagu, S.; Giannetti, P.; Gibson, K.; Gimmell, J. L.; Ginsburg, C.; Giokaris, N.; Giordani, M.; Giromini, P.; Giunta, M.; Giurgiu, G.; Glagolev, V.; Glenzinski, D.; Gold, M.; Goldschmidt, N.; Goldstein, J.; Golossanov, A.; Gomez, G.; Gomez-Ceballos, G.; Goncharov, M.; González, O.; Gorelov, I.; Goshaw, A. T.; Goulianos, Konstantin; Gresele, A.; Grinstein, S.; Grosso-Pilcher, C.; Group, R. C.; Grundler, U.; Da Costa, J. G.; Gunay-Unalan, Z.; Haber, C.; Hahn, K.; Hahn, S. R.; Halkiadakis, Eva; Hamilton, A.; Han, B. -Y; Han, J. Y.; Handler, R.; Happacher, F.; Hara, K.; Hare, D.; Hare, M.; Harper, S.; Harr, R. F.; Harris, R. M.; Hartz, M.; Hatakeyama, K.; Hauser, J.; Hays, C.; Heck, M.; Heijboer, A.; Heinemann, B.; Heinrich, J.; Henderson, C.; Herndon, M.; Heuser, J.; Hidas, D.; Hill, C. S.; Hirschbuehl, D.; Hocker, A.; Holloway, A.; Hou, S.; Houlden, M.; Hsu, S. -C; Huffman, B. T.; Hughes, R. E.; Husemann, U.; Huston, J.; Incandela, J.; Introzzi, G.; Iori, M.; Ivanov, A.; Iyutin, B.; James, E.; Jang, D.; Jayatilaka, B.; Jeans, D.; Jeon, E. J.; Jindariani, S.; Johnson, W.; Jones, M.; Joo, K. K.; Jun, S. Y.; Jung, J. E.; Junk, T. R.; Kamon, T.; Karchin, P. E.; Kato, Y.; Kemp, Y.; Kephart, R.; Kerzel, U.; Khotilovich, V.; Kilminster, B.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, M. J.; Kim, S. B.; Kim, S. H.; Kim, Y. K.; Kimura, N.; Kirsch, L.; Klimenko, S.; Klute, M.; Knuteson, B.; Ko, B. R.; Kondo, K.; Kong, D. J.; Konigsberg, J.; Korytov, A.; Kotwal, A. V.; Kraan, A. C.; Kraus, J.; Kreps, M.; Kroll, J.; Krumnack, N.; Kruse, M.; Krutelyov, V.; Kubo, T.; Kuhlmann, S. E.; Kuhr, T.; Kulkarni, N. P.; Kusakabe, Y.; Kwang, S.; Laasanen, A. T.; Lai, S.; Lami, S.; Lammel, S.; Lancaster, M.; Lander, R. L.; Lannon, K.; Lath, A.; Latino, G.; Lazzizzera, I.; Lecompte, T.; Lee, J.; Lee, J.; Lee, Y. J.; Lee, S. W.; Lefèvre, R.; Leonardo, N.; Leone, S.; Levy, S.; Lewis, J. D.; Lin, C.; Lin, C. S.; Lindgren, M.; Lipeles, E.; Lister, A.; Litvintsev, D. O.; Liu, T.; Lockyer, N. S.; Loginov, A.; Loreti, M.; Lu, R. -S; Lucchesi, D.; Lujan, P.; Lukens, P.; Lungu, G.; Lyons, L.; Lys, J.; Lysak, R.; Lytken, E.; MacK, P.; MacQueen, D.; Madrak, R.; Maeshima, K.; Makhoul, K.; Maki, T.; Maksimovic, P.; Malde, S.; Malik, S.; Manca, G.; Manousakis, A.; Margaroli, F.; Marginean, R.; Marino, C.; Marino, C. P.; Martin, A.; Martin, M.; Martin, V.; Martínez, M.; Martínez-Ballarín, R.; Maruyama, T.; Mastrandrea, P.; Masubuchi, T.; Matsunaga, H.; Mattson, M. E.; Mazini, R.; Mazzanti, P.; McFarland, K. S.; McIntyre, P.; McNulty, R.; Mehta, A.; Mehtala, P.; Menzemer, S.; Menzione, A.; Merkel, P.; Mesropian, C.; Messina, A.; Miao, T.; Miladinovic, N.; Miles, J.; Miller, R.; Mills, C.; Milnik, M.; Mitra, A.; Mitselmakher, G.; Miyamoto, A.; Moed, S.; Moggi, N.; Mohr, B.; Moon, C. S.; Moore, R.; Morello, M.; Fernandez, P. M.; Mülmenstädt, J.; Mukherjee, A.; Muller, Th; Mumford, R.; Murat, P.; Mussini, M.; Nachtman, J.; Nagano, A.; Naganoma, J.; Nakamura, K.; Nakano, I.; Napier, A.; Necula, V.; Neu, C.; Neubauer, M. S.; Nielsen, J.; Nodulman, L.; Norniella, O.; Nurse, E.; Oh, S. H.; Oh, Y. D.; Oksuzian, I.; Okusawa, T.; Oldeman, R.; Orava, R.; Osterberg, K.; Pagliarone, C.; Palencia, E.; Papadimitriou, Vaia; Papaikonomou, A.; Paramonov, A. A.; Parks, B.; Pashapour, S.; Patrick, J.; Pauletta, G.; Paulini, M.; Paus, C.; Pellett, D. E.; Penzo, A.; Phillips, T. J.; Piacentino, G.; Piedra, J.; Pinera, L.; Pitts, K.; Plager, C.; Pondrom, L.; Portell, X.; Poukhov, O.; Pounder, N.; Prakoshyn, F.; Pronko, A.; Proudfoot, J.; Ptohos, Fotios; Punzi, G.; Pursley, J.; Rademacker, J.; Rahaman, A.; Ramakrishnan, V.; Ranjan, N.; Redondo, I.; Reisert, B.; Rekovic, V.; Renton, P.; Rescigno, M.; Richter, S.; Rimondi, F.; Ristori, L.; Robson, A.; Rodrigo, T.; Rogers, E.; Rolli, S.; Roser, R.; Rossi, M.; Rossin, R.; Roy, P.; Ruiz, A.; Russ, J.; Rusu, V.; Saarikko, H.; Safonov, A.; Sakumoto, W. K.; Salamanna, G.; Saltó, O.; Santi, L.; Sarkar, S.; Sartori, L.; Sato, K.; Savard, P.; Savoy-Navarro, A.; Scheidle, T.; Schlabach, P.; Schmidt, E. E.; Schmidt, M. P.; Schmitt, M.; Schwarz, T.; Scodellaro, L.; Scott, A. L.; Scribano, A.; Scuri, F.; Sedov, A.; Seidel, S.; Seiya, Y.; Semenov, A.; Sexton-Kennedy, L.; Sfyrla, A.; Shalhout, S. Z.; Shapiro, M. D.; Shears, T.; Shepard, P. F.; Sherman, D.; Shimojima, M.; Shochet, M.; Shon, Y.; Shreyber, I.; Sidoti, A.; Sinervo, P.; Sisakyan, A.; Slaughter, A. J.; Slaunwhite, J.; Sliwa, K.; Smith, J. R.; Snider, F. D.; Snihur, R.; Soderberg, M.; Soha, A.; Somalwar, S.; Sorin, V.; Spalding, J.; Spinella, F.; Spreitzer, T.; Squillacioti, P.; Stanitzki, M.; Staveris-Polykalas, A.; Denis, R. S.; Stelzer, B.; Stelzer-Chilton, O.; Stentz, D.; Strologas, John; Stuart, D.; Suh, J. S.; Sukhanov, A.; Sun, H.; Suslov, I.; Suzuki, T.; Taffard, A.; Takashima, R.; Takeuchi, Y.; Tanaka, R.; Tecchio, M.; Teng, P. K.; Terashi, K.; Thom, J.; Thompson, A. S.; Thomson, E.; Tipton, P.; Tiwari, V.; Tkaczyk, S.; Toback, D.; Tokar, S.; Tollefson, K.; Tomura, T.; Tonelli, D.; Torre, S.; Torretta, D.; Tourneur, S.; Trischuk, W.; Tsuno, S.; Tu, Y.; Turini, N.; Ukegawa, F.; Uozumi, S.; Vallecorsa, S.; Van Remortel, Nick; Varganov, A.; Vataga, E.; Vazquez, F.; Velev, G.; Vellidis, C.; Veramendi, G.; Veszprémi, V.; Vidal, M.; Vidal, R.; Vila, I.; Vilar, R.; Vine, T.; Vollrath, I.; Volobouev, I.; Volpi, G.; Würthwein, F.; Wagner, P.; Wagner, R. G.; Wagner, R. L.; Wagner, J.; Wagner, W.; Wallny, R.; Wang, S. M.; Warburton, A.; Waters, D.; Weinberger, M.; Wester, W. C.; Whitehouse, B.; Whiteson, D.; Wicklund, A. B.; Wicklund, E.; Williams, G.; Williams, H. H.; Wilson, P.; Winer, B. L.; Wittich, P.; Wolbers, S.; Wolfe, C.; Wright, T.; Wu, X.; Wynne, S. M.; Yagil, A.; Yamamoto, K.; Yamaoka, J.; Yamashita, T.; Yang, C.; Yang, U. K.; Yang, Y. C.; Yao, W. M.; Yeh, G. P.; Yoh, J.; Yorita, K.; Yoshida, T.; Yu, G. B.; Yu, I.; Yu, S. S.; Yun, J. C.; Zanello, L.; Zanetti, A.; Zaw, I.; Zhang, X.; Zhou, J.; Zucchelli, S. (2007)
      We present a measurement of σ(pp̄→W)×B(W→eν) at s=1.96TeV, using electrons identified in the forward region (1.2<|η|<2.8) of the CDF II detector, in 223pb-1 of data. We measure σ×B=2796±13(stat)-90+95(syst)±162(lum)pb. ...
    • Article  

      Fragment orbital based description of charge transfer in peptides including backbone orbitals 

      Heck, A.; Woiczikowski, P. B.; Kubař, T.; Welke, K.; Niehaus, T.; Giese, B.; Skourtis, Spiros S.; Elstner, M.; Steinbrecher, T. B. (2014)
      Charge transfer in peptides and proteins can occur on different pathways, depending on the energetic landscape as well as the coupling between the involved orbitals. Since details of the mechanism and pathways are difficult ...