-
1
-
-
24944450365
-
A theoretical study of potassium cation binding to prolylglycine (PG) and glycylproline (GP) dipeptide
-
DOI 10.1016/j.theochem.2005.05.029, PII S0166128005004744
-
S. Abirami, C.H.-S. Wong, C.W. Tsang, N.L. Ma, and N.K. Goh A theoretical study of potassium cation binding to prolylglycine (PG) and glycylproline (GP) dipeptide J. Mol. Struct. (THEOCHEM) 729 2005 193 202 (Pubitemid 41316966)
-
(2005)
Journal of Molecular Structure: THEOCHEM
, vol.729
, Issue.3
, pp. 193-202
-
-
Abirami, S.1
Wong, C.H.-S.2
Tsang, C.-W.3
Ma, N.-L.4
Goh, N.K.5
-
2
-
-
70349684640
-
Quantum mechanical and NMR studies of ring puckering and cis/trans-rotameric interconversion in prolines and hydroxyprolines
-
A.E. Aliev, S. Bhandal, and D. Courtier-Murias Quantum mechanical and NMR studies of ring puckering and cis/trans-rotameric interconversion in prolines and hydroxyprolines J. Phys. Chem. A 113 2009 10858 10865
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 10858-10865
-
-
Aliev, A.E.1
Bhandal, S.2
Courtier-Murias, D.3
-
3
-
-
38149087413
-
Conformational analysis of l-prolines in water
-
A.E. Aliev, and D. Courtier-Murias Conformational analysis of l-prolines in water J. Phys. Chem. B 111 2007 14034 14042
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 14034-14042
-
-
Aliev, A.E.1
Courtier-Murias, D.2
-
4
-
-
4243553426
-
Density-functional exchange-energy approximation with correct asymptotic-behavior
-
A.D. Becke Density-functional exchange-energy approximation with correct asymptotic-behavior Phys. Rev. A 38 1988 3098 3100
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098-3100
-
-
Becke, A.D.1
-
5
-
-
66549108491
-
Chiral and achiral fundamental conformational building units of β-peptides: A matrix isolation conformational study on Ac-β-HGly-NHMe and Ac-β-HAla-NHMe
-
T. Beke, C. Somlai, G. Magyarfalvi, A. Perczel, and G. Tarczay Chiral and achiral fundamental conformational building units of β-peptides: a matrix isolation conformational study on Ac-β-HGly-NHMe and Ac-β-HAla-NHMe J. Phys. Chem. B 113 2009 7918 7926
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 7918-7926
-
-
Beke, T.1
Somlai, C.2
Magyarfalvi, G.3
Perczel, A.4
Tarczay, G.5
-
6
-
-
77955230222
-
A theoretical and matrix-isolation FT-IR investigation of the conformational landscape of N-acetylcysteine
-
B. Boeckx, R. Ramaekers, and G. Maes A theoretical and matrix-isolation FT-IR investigation of the conformational landscape of N-acetylcysteine J. Mol. Spectrosc. 261 2010 73 81
-
(2010)
J. Mol. Spectrosc.
, vol.261
, pp. 73-81
-
-
Boeckx, B.1
Ramaekers, R.2
Maes, G.3
-
7
-
-
0038626673
-
-
Revision D.02. Wallingford CT, Gaussian, Inc. Ref Type: Computer Program
-
Frisch, M.J.T.G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Montgomery, Jr.J.A., Vreven, T., Kudin, K., N., Burant, J.C., Millam, J.M., Iyengar, S.S., Tomasi, J., Barone, V., Mennucci, B., Cossi, M., Scalmani, G., Rega, N., Petersson, G.A., Nakatsuji, H., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Klene, M., Li, X., Knox, J.E., Hratchian, H.P., Cross, J.B., Bakken, V., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R.E., Yazyev, O., Austin, A.J., Cammi, R., Pomelli, C., Ochterski, J.W., Ayala, P.Y., Morokuma, K., Voth, G.A., Salvador, P., Clifford, S., Cioslowski, J., Stefanov, B.B., Liu, G., Liashenko, A., Piskorz, P., Komaromi, I., Martin, R.L., Fox, D.J., Keith, T., Al-Laham, M.A., Peng, C.Y., Nanayakkara, A., Challacombe, M., Gill, P.M.W., Johnson, B., Chen, W., Wong, M.W., Gonzalez, C., Pople, J.A. Gaussian 03, Revision D.02. 2004. Wallingford CT, Gaussian, Inc. Ref Type: Computer Program
-
(2004)
Gaussian 03
-
-
Frisch, M.J.T.G.W.1
Schlegel, H.B.2
Scuseria, G.E.3
Robb, M.A.4
Cheeseman, J.R.5
Montgomery, Jr.J.A.6
Vreven, T.7
Kudin, K.N.8
Burant, J.C.9
Millam, J.M.10
Iyengar, S.S.11
Tomasi, J.12
Barone, V.13
Mennucci, B.14
Cossi, M.15
Scalmani, G.16
Rega, N.17
Petersson, G.A.18
Nakatsuji, H.19
Hada, M.20
Ehara, M.21
Toyota, K.22
Fukuda, R.23
Hasegawa, J.24
Ishida, M.25
Nakajima, T.26
Honda, Y.27
Kitao, O.28
Nakai, H.29
Klene, M.30
Li, X.31
Knox, J.E.32
Hratchian, H.P.33
Cross, J.B.34
Bakken, V.35
Adamo, C.36
Jaramillo, J.37
Gomperts, R.38
Stratmann, R.E.39
Yazyev, O.40
Austin, A.J.41
Cammi, R.42
Pomelli, C.43
Ochterski, J.W.44
Ayala, P.Y.45
Morokuma, K.46
Voth, G.A.47
Salvador, P.48
Clifford, S.49
Cioslowski, J.50
Stefanov, B.B.51
Liu, G.52
Liashenko, A.53
Piskorz, P.54
Komaromi, I.55
Martin, R.L.56
Fox, D.J.57
Keith, T.58
Al-Laham, M.A.59
Peng, C.Y.60
Nanayakkara, A.61
Challacombe, M.62
Gill, P.M.W.63
Johnson, B.64
Chen, W.65
Wong, M.W.66
Gonzalez, C.67
Pople, J.A.68
more..
-
8
-
-
77958084905
-
Is [small beta]-homo-proline a pseudo-[gamma]-turn forming element of [small beta]-peptides? An IR and VCD spectroscopic study on Ac-[small beta]-HPro-NHMe in cryogenic matrices and solutions
-
S. Gobi, K. Knapp, E. Vass, Z. Majer, G. Magyarfalvi, M. Hollosi, and G. Tarczay Is [small beta]-homo-proline a pseudo-[gamma]-turn forming element of [small beta]-peptides? An IR and VCD spectroscopic study on Ac-[small beta]-HPro-NHMe in cryogenic matrices and solutions Phys. Chem. Chem. Phys. 12 2010 13603 13615
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 13603-13615
-
-
Gobi, S.1
Knapp, K.2
Vass, E.3
Majer, Z.4
Magyarfalvi, G.5
Hollosi, M.6
Tarczay, G.7
-
9
-
-
0037228263
-
Matrix-isolation FT-IR spectra and molecular orbital calculations on neutral N,N-dimethylglycine
-
A. Gomez-Zavaglia, I.D. Reva, and R. Fausto Matrix-isolation FT-IR spectra and molecular orbital calculations on neutral N,N-dimethylglycine Phys. Chem. Chem. Phys. 5 2003 41 51
-
(2003)
Phys. Chem. Chem. Phys.
, vol.5
, pp. 41-51
-
-
Gomez-Zavaglia, A.1
Reva, I.D.2
Fausto, R.3
-
10
-
-
0000818507
-
Fourier transform-infrared spectroscopic study of uracil derivatives and their hydrogen-bonded complexes with proton donors.1. Monomer infrared absorptions of uracil and some methylated uracils in argon matrices
-
M. Graindourze, J. Smets, T. Zeegers-Huyskens, and G. Maes Fourier transform-infrared spectroscopic study of uracil derivatives and their hydrogen-bonded complexes with proton donors.1. Monomer infrared absorptions of uracil and some methylated uracils in argon matrices J. Mol. Struct. 222 1990 345 364
-
(1990)
J. Mol. Struct.
, vol.222
, pp. 345-364
-
-
Graindourze, M.1
Smets, J.2
Zeegers-Huyskens, T.3
Maes, G.4
-
11
-
-
0001781108
-
Molecular-structure study of dipeptides isolated in an argon matrix by infrared spectroscopy
-
Y. Grenie, M. Avignon, and C. Garrigou-Lagrange Molecular-structure study of dipeptides isolated in an argon matrix by infrared spectroscopy J. Mol. Struct. 24 1975 293 307
-
(1975)
J. Mol. Struct.
, vol.24
, pp. 293-307
-
-
Grenie, Y.1
Avignon, M.2
Garrigou-Lagrange, C.3
-
12
-
-
33644889925
-
Importance of entropy in the conformational equilibrium of phenylalanine: A matrix-isolation infrared spectroscopy and density functional theory study
-
A. Kaczor, I.D. Reva, L.M. Proniewicz, and R. Fausto Importance of entropy in the conformational equilibrium of phenylalanine: a matrix-isolation infrared spectroscopy and density functional theory study J. Phys. Chem. A 110 2006 2360 2370
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 2360-2370
-
-
Kaczor, A.1
Reva, I.D.2
Proniewicz, L.M.3
Fausto, R.4
-
13
-
-
11144294805
-
Ab initio conformational study of N-acetyl-L-proline-N′,N′- dimethylamide: A model for polyproline
-
DOI 10.1016/j.bpc.2004.08.002, PII S030146220400225X
-
Y. Kee Kang, and H. Sook Park Ab initio conformational study of N-acetyl-l-proline-N′, N′-dimethylamide: a model for polyproline Biophys. Chem. 113 2005 93 101 (Pubitemid 40029723)
-
(2005)
Biophysical Chemistry
, vol.113
, Issue.1
, pp. 93-101
-
-
Kee Kang, Y.1
Sook Park, H.2
-
14
-
-
0037383048
-
On the contribution of intramolecular H-bonding entropy to the conformational stability of alanine conformations
-
B. Lambie, R. Ramaekers, and G. Maes On the contribution of intramolecular H-bonding entropy to the conformational stability of alanine conformations Spectrochim. Acta, Part A 59 2003 1387 1397
-
(2003)
Spectrochim. Acta, Part A
, vol.59
, pp. 1387-1397
-
-
Lambie, B.1
Ramaekers, R.2
Maes, G.3
-
15
-
-
10044242679
-
Conformational behavior of serine: An experimental matrix-isolation FT-IR and theoretical DFT(B3LYP)/6-31++G** study
-
B. Lambie, R. Ramaekers, and G. Maes Conformational behavior of serine: an experimental matrix-isolation FT-IR and theoretical DFT(B3LYP)/6- 31++G** study J. Phys. Chem. A 108 2004 10426 10433
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 10426-10433
-
-
Lambie, B.1
Ramaekers, R.2
Maes, G.3
-
16
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron-density
-
C.T. Lee, W.T. Yang, and R.G. Parr Development of the Colle-Salvetti correlation-energy formula into a functional of the electron-density Phys. Rev. B. 37 1988 785 789
-
(1988)
Phys. Rev. B.
, vol.37
, pp. 785-789
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
17
-
-
6944251055
-
Note on an approximation treatment for many-electron systems
-
C. Moller, and M.S. Plesset Note on an approximation treatment for many-electron systems Phys. Rev. 46 1934 618
-
(1934)
Phys. Rev.
, vol.46
, pp. 618
-
-
Moller, C.1
Plesset, M.S.2
-
18
-
-
0026344311
-
A C-terminal proline is required for bioluminescence of the Ca2+-binding photoprotein, aequorin
-
M. Nomura, S. Inouye, Y. Ohmiya, and F.I. Tsuji A C-terminal proline is required for bioluminescence of the Ca2+-binding photoprotein, aequorin FEBS Lett. 295 1991 63 66
-
(1991)
FEBS Lett.
, vol.295
, pp. 63-66
-
-
Nomura, M.1
Inouye, S.2
Ohmiya, Y.3
Tsuji, F.I.4
-
19
-
-
65249145274
-
Simulation of the first hydration shell of nucleosides D4T and thymidine: Structures obtained using MP2 and DFT methods
-
M.A. Palafox, N. Iza, M. de la Fuente, and R. Navarro Simulation of the first hydration shell of nucleosides D4T and thymidine: structures obtained using MP2 and DFT methods J. Phys. Chem. B 113 2009 2458 2476
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 2458-2476
-
-
Palafox, M.A.1
Iza, N.2
De La Fuente, M.3
Navarro, R.4
-
20
-
-
34547967482
-
A matrix isolation study on Ac-Gly-NHMe and Ac-l-Ala-NHMe, the simplest chiral and achiral building blocks of peptides and proteins
-
G. Pohl, A. Perczel, E. Vass, G. Magyarfalvi, and G. Tarczay A matrix isolation study on Ac-Gly-NHMe and Ac-l-Ala-NHMe, the simplest chiral and achiral building blocks of peptides and proteins Phys. Chem. Chem. Phys. 9 2007 4698 4708
-
(2007)
Phys. Chem. Chem. Phys.
, vol.9
, pp. 4698-4708
-
-
Pohl, G.1
Perczel, A.2
Vass, E.3
Magyarfalvi, G.4
Tarczay, G.5
-
21
-
-
38349141263
-
A matrix isolation study on Ac-l-Pro-NH2: A frequent structural element of [beta]- and [gamma]-turns of peptides and proteins
-
G. Pohl, A. Perczel, E. Vass, G. Magyarfalvi, and G. Tarczay A matrix isolation study on Ac-l-Pro-NH2: a frequent structural element of [beta]- and [gamma]-turns of peptides and proteins Tetrahedron 64 2008 2126 2133
-
(2008)
Tetrahedron
, vol.64
, pp. 2126-2133
-
-
Pohl, G.1
Perczel, A.2
Vass, E.3
Magyarfalvi, G.4
Tarczay, G.5
-
22
-
-
0037046749
-
2O
-
DOI 10.1021/jp013610+
-
R. Ramaekers, A. Dkhissi, L. Adamowicz, and G. Maes Matrix-isolation FT-IR study and theoretical calculations of the hydrogen-bond interaction of hypoxanthine with H2O J. Phys. Chem. A 106 2002 4502 4512 (Pubitemid 35290038)
-
(2002)
Journal of Physical Chemistry A
, vol.106
, Issue.18
, pp. 4502-4512
-
-
Ramaekers, R.1
Dkhissi, A.2
Adamowicz, L.3
Maes, G.4
-
23
-
-
1842580254
-
2O complexes: A theoretical and matrix-isolation Fourier transform infrared study
-
2O complexes: a theoretical and matrix-isolation Fourier transform infrared study J. Chem. Phys. 120 2004 4182 4193
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 4182-4193
-
-
Ramaekers, R.1
Pajak, J.2
Lambie, B.3
Maes, G.4
-
24
-
-
77955227143
-
On the intramolecular H-bond entropy contribution to the stability of glycine conformations
-
R. Ramaekers, J. Pajak, and G. Maes On the intramolecular H-bond entropy contribution to the stability of glycine conformations Asian Chem. Lett. 2 & 3 2004 203 209
-
(2004)
Asian Chem. Lett.
, vol.23
, pp. 203-209
-
-
Ramaekers, R.1
Pajak, J.2
Maes, G.3
-
25
-
-
57649155069
-
Analysis of the normal modes of molecules with D-3h symmetry Infrared spectra of monomeric s-triazine and cyanuric acid
-
H. Rostkowska, L. Lapinski, and M.J. Nowak Analysis of the normal modes of molecules with D-3h symmetry Infrared spectra of monomeric s-triazine and cyanuric acid Vib. Spectrosc. 49 2009 43 51
-
(2009)
Vib. Spectrosc.
, vol.49
, pp. 43-51
-
-
Rostkowska, H.1
Lapinski, L.2
Nowak, M.J.3
-
26
-
-
33745800493
-
Theoretical and experimental investigation of the energetics of cis-trans proline isomerization in peptide models
-
DOI 10.1021/jp060642u
-
O.E. Schroeder, E. Carper, J.J. Wind, J.L. Poutsma, F.A. Etzkorn, and J.C. Poutsma Theoretical and experimental investigation of the energetics of cis/trans proline isomerization in peptide models J. Phys. Chem. A 110 2006 6522 6530 (Pubitemid 44020306)
-
(2006)
Journal of Physical Chemistry A
, vol.110
, Issue.20
, pp. 6522-6530
-
-
Schroeder, O.E.1
Carper, E.2
Wind, J.J.3
Poutsma, J.L.4
Etzkorn, F.A.5
Poutsma, J.C.6
-
28
-
-
0035969762
-
Conformers of nonionized proline. Matrix-isolation infrared and post-hartree-fock ab initio study
-
DOI 10.1021/jp011708i
-
S.G. Stepanian, I.D. Reva, E.D. Radchenko, and L. Adamowicz Conformers of nonionized proline. Matrix-isolation infrared and post-Hartree-Fock ab initio study J. Phys. Chem. A 105 2001 10664 10672 (Pubitemid 35378420)
-
(2001)
Journal of Physical Chemistry A
, vol.105
, Issue.47
, pp. 10664-10672
-
-
Stepanian, S.G.1
Reva, I.D.2
Radchenko, E.D.3
Adamowicz, L.4
-
29
-
-
0031101397
-
Matrix-isolation FTIR studies and theoretical calculations of hydrogen-bonded complexes of imidazole. A comparison between experimental results and different calculation methods
-
M.K. VanBael, J. Smets, K. Schoone, L. Houben, W. McCarthy, L. Adamowicz, M.J. Nowak, and G. Maes Matrix-isolation FTIR studies and theoretical calculations of hydrogen-bonded complexes of imidazole. A comparison between experimental results and different calculation methods J. Phys. Chem. A 101 1997 2397 2413 (Pubitemid 127578042)
-
(1997)
Journal of Physical Chemistry A
, vol.101
, Issue.13
, pp. 2397-2413
-
-
Van Bael, M.K.1
Smets, J.2
Schoone, K.3
Houben, L.4
McCarthy, W.5
Adamowicz, L.6
Nowak, M.J.7
Maes, G.8
-
30
-
-
0028795614
-
Effect of the C-terminal proline repeats on ordered packing of squid rhodopsin and its mobility in membranes
-
C. Venien-Bryan, A. Davies, K. Langmack, J. Baverstock, A. Watts, D. Marsh, and H. Saibil Effect of the C-terminal proline repeats on ordered packing of squid rhodopsin and its mobility in membranes FEBS Lett. 359 1995 45 49
-
(1995)
FEBS Lett.
, vol.359
, pp. 45-49
-
-
Venien-Bryan, C.1
Davies, A.2
Langmack, K.3
Baverstock, J.4
Watts, A.5
Marsh, D.6
Saibil, H.7
-
31
-
-
0028958660
-
Dynamin GTPase is stimulated by crosslinking through the C-terminal proline-rich domain
-
D.E. Warnock, L.J. Terlecky, and S.L. Schmid Dynamin GTPase is stimulated by crosslinking through the C-terminal proline-rich domain EMBO J. 14 1995 1322 1328
-
(1995)
EMBO J.
, vol.14
, pp. 1322-1328
-
-
Warnock, D.E.1
Terlecky, L.J.2
Schmid, S.L.3
|