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Exchange-transferred (tr)NOESY experiments were also attempted without success. Different molar ratios of the glycopeptides/ligand were employed, by using two NMR machines operating at 500 and 600 MHz. No clear trNOESY cross-peaks were obtained and the few peaks observed matched perfectly with those observed for the free ligand.
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AMBER 9, D.A. Case, T.A. Darden, T.E. Cheatham III, C.L. Simmerling, J. Wang, R.E. Duke, R. Luo, K.M. Merz, Jr. D.A. Pearlman, M. Crowley, R.C. Walker, W. Zhang, B. Wang, S. Hayik, A.E. Roitberg, G. Seabra, K.F. Wong, F. Paesani, X. Wu, S. Brozell, V. Tsui, H. Gohlke, L. Yang, C. Tan, J. Mongan, V. Hornak, G. Cui, P. Beroza, D.H. Mathews, C.E.A.F. Schafmeister, W.S. Ross, P.A. Kollman, University of California, San Francisco, 2006.
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AMBER 9
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Case, D.A.1
Darden, T.A.2
Cheatham III, T.E.3
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Wang, J.5
Duke, R.E.6
Luo, R.7
Merz Jr., K.M.8
Pearlman, D.A.9
Crowley, M.10
Walker, R.C.11
Zhang, W.12
Wang, B.13
Hayik, S.14
Roitberg, A.E.15
Seabra, G.16
Wong, K.F.17
Paesani, F.18
Wu, X.19
Brozell, S.20
Tsui, V.21
Gohlke, H.22
Yang, L.23
Tan, C.24
Mongan, J.25
Hornak, V.26
Cui, G.27
Beroza, P.28
Mathews, D.H.29
Schafmeister, C.E.A.F.30
Ross, W.S.31
Kollman, P.A.32
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