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1 of 84 |
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Author(s): Ghaderi, AR; Sabzyan, H;
Hadipour, NL |
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Title: Correlation between NQR
parameters and residue size of aliphatic amino acids and their dimers |
|
Source: BIOPHYSICAL CHEMISTRY, 120 (1):
62-70 MAR 1 2006 |
|
Record
2 of 84 |
|
Author(s): Georgieva, I; Trendafilova, N |
|
Title: Comprehensive DFT and MO studies
on glyoxilic acid oxime and related ions in gas phase and solution:
Conformations, basicities and acidities |
|
Source: CHEMICAL PHYSICS, 321 (3):
311-324 FEB 6 2006 |
|
Record
3 of 84 |
|
Author(s): Galano, A; Alvarez-Idaboy, JR |
|
Title: Ab initio study of beta-alanine
conformers in the gas phase |
|
Source: ARKIVOC: 7-18 Part 6 2005 |
|
Record
4 of 84 |
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Author(s): Kapota, C; Ohanessian, G |
|
Title: The low energy tautomers and
conformers of the dipeptides HisGly and GlyHis and of their sodium ion
complexes in the gas phase |
|
Source: PHYSICAL CHEMISTRY CHEMICAL
PHYSICS, 7 (21): 3744-3755 NOV 7 2005 |
|
Record
5 of 84 |
|
Author(s): Kolandaivel, P; Praveena, G;
Selvarengan, P |
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Title: Study of atomic and condensed
atomic indices for reactive sites of molecules |
|
Source: JOURNAL OF CHEMICAL SCIENCES,
117 (5): 591-598 SEP 2005 |
|
Record
6 of 84 |
|
Author(s): Moghimi, A; Maddah, B; Yari, A;
Shamsipur, M; Boostani, M; Rastegar, MF; Ghaderi, AR |
|
Title: Molecular recognition of amino
acids with some fluorescent ditopic pyrylium- and pyridinium-based crown
ether receptors |
|
Source: JOURNAL OF MOLECULAR STRUCTURE,
752 (1-3): 68-77 OCT 14 2005 |
|
Record
7 of 84 |
|
Author(s): Pollreisz, F; Gomory, I;
Schlosser, G; Vekey, K; Solt, I; Csaszar, AG |
|
Title: Mass spectrometric and
quantum-chemical study on the structure, stability, and chirality of
protonated serine dimers |
|
Source: CHEMISTRY-A EUROPEAN JOURNAL, 11
(20): 5908-5916 OCT 7 2005 |
|
Record
8 of 84 |
|
Author(s): Ji, N; Shen, YR |
|
Title: A dynamic coupling model for sum
frequency chiral response from liquids composed of molecules with a chiral
side chain and an achiral chromophore |
|
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 127 (37): 12933-12942 SEP 21 2005 |
|
Record
9 of 84 |
|
Author(s): Lesarri, A; Sanchez, R;
Cocinero, EJ; Lopez, JC; Alonso, JL |
|
Title: Coded amino acids in gas phase:
The shape of isoleucine |
|
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 127 (37): 12952-12956 SEP 21 2005 |
|
Record
10 of 84 |
|
Author(s): Simon, S; Gil, A; Sodupe, M;
Bertran, J |
|
Title: Structure and fragmentation of
glycine, alanine, serine and cysteine radical cations. A theoretical study |
|
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 727 (1-3): 191-197 AUG 16 2005 |
|
Record
11 of 84 |
|
Author(s): Lesarri, A; Cocinero, EJ; Lopez,
JC; Alonso, JL |
|
Title: Gas-phase structure of
N,N-dimethylglycine |
|
Source: CHEMPHYSCHEM, 6 (8): 1559-1566
AUG 12 2005 |
|
Record
12 of 84 |
|
Author(s): Selvarengan, P; Kolandaivel, P |
|
Title: Study of nonplanarity of peptide
bond using theoretical calculations |
|
Source: BIOORGANIC CHEMISTRY, 33 (4):
253-263 AUG 2005 |
|
Record
13 of 84 |
|
Author(s): Hoffmann, M |
|
Title: Quantum chemical study on chiral
recognition modes between esters of alpha-hydroxycarboxylic acids and amino
acids |
|
Source: POLISH JOURNAL OF CHEMISTRY, 79
(7): 1179-1185 JUL 2005 |
|
Record
14 of 84 |
|
Author(s): Tulip, PR; Clark, SJ |
|
Title: Structural and electronic
properties of L-amino acids |
|
Source: PHYSICAL REVIEW B, 71 (19): Art.
No. 195117 MAY 2005 |
|
Record
15 of 84 |
|
Author(s): Ramaekers, R; Pajak, J; Rospenk,
M; Maes, G |
|
Title: Matrix-isolation FT-IR
spectroscopic study and theoretical DFT(B3LYP)/6-31++G** calculations of the
vibrational and conformational properties of tyrosine |
|
Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 61 (7): 1347-1356 MAY 2005 |
|
Record
16 of 84 |
|
Author(s): Chen, ML; Huang, ZJ; Lin, ZJ |
|
Title: Ab initio studies of gasphase
asparagine conformers |
|
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 719 (1-3): 153-158 APR 14 2005 |
|
Record
17 of 84 |
|
Author(s): Sun, Y; Li, HR; Liang, WC; Han,
SJ |
|
Title: Theoretical study of the effect
of water in the process of proton transfer of glycinamide |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY B,
109 (12): 5919-5926 MAR 31 2005 |
|
Record
18 of 84 |
|
Author(s): Miao, R; Jin, C; Yang, GS; Hong,
J; Zhao, CM; Zhu, LG |
|
Title: Comprehensive density functional
theory study on serine and related ions in gas phase: Conformations, gas
phase basicities, and acidities |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
109 (10): 2340-2349 MAR 17 2005 |
|
Record
19 of 84 |
|
Author(s): Ahn, DS; Kang, AR; Lee, S; Kim,
B; Kim, SK; Neuhauser, D |
|
Title: On the stability of
glycine-water clusters with excess electron: Implications for photoelectron
spectroscopy |
|
Source: JOURNAL OF CHEMICAL PHYSICS, 122
(8): Art. No. 084310 FEB 22 2005 |
|
Record
20 of 84 |
|
Author(s): Abirami, S; Xing, YM; Tsang, CW;
Ma, NL |
|
Title: Theoretical study of
alpha/beta-alanine and their protonated/alkali metal cationized complexes |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
109 (3): 500-506 JAN 27 2005 |
|
Record
21 of 84 |
|
Author(s): Jeon, IS; Ahn, DS; Park, SW;
Lee, S; Kim, B |
|
Title: Structures and isomerization of
neutral and zwitterion serine-water clusters: Computational study |
|
Source: INTERNATIONAL JOURNAL OF QUANTUM
CHEMISTRY, 101 (1): 55-66 JAN 5 2005 |
|
Record
22 of 84 |
|
Author(s): Allen, WD; Czinki, E; Csaszar,
AG |
|
Title: Molecular structure of proline |
|
Source: CHEMISTRY-A EUROPEAN JOURNAL, 10
(18): 4512-4517 SEP 20 2004 |
|
Record
23 of 84 |
|
Author(s): Blanco, S; Lesarri, A; Lopez,
JC; Alonso, JL |
|
Title: The gas-phase structure of
alanine |
|
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 126 (37): 11675-11683 SEP 22 2004 |
|
Record
24 of 84 |
|
Author(s): Tulip, PR; Clark, SJ |
|
Title: Dielectric and vibrational
properties of amino acids |
|
Source: JOURNAL OF CHEMICAL PHYSICS, 121
(11): 5201-5210 SEP 15 2004 |
|
Record
25 of 84 |
|
Author(s): Brauer, B; Chaban, GM; Gerber,
RB |
|
Title: Spectroscopically-tested,
improved, semi-empirical potentials for biological molecules: Calculations
for glycine, alanine and proline |
|
Source: PHYSICAL CHEMISTRY CHEMICAL
PHYSICS, 6 (10): 2543-2556 MAY 21 2004 |
|
Record
26 of 84 |
|
Author(s): Selvarengan, P; Kolandaivel, P |
|
Title: Potential energy surface study
on glycine, alanine and their zwitterionic forms |
|
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 671 (1-3): 77-86 FEB 23 2004 |
|
Record
27 of 84 |
|
Author(s): Gambino, GL; Lombardo, GM;
Grassi, A; Marletta, G |
|
Title: Molecular modeling of
interactions between L-lysine and a hydroxylated quartz surface |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY B,
108 (8): 2600-2607 FEB 26 2004 |
|
Record
28 of 84 |
|
Author(s): Jochims, HW; Schwell, M; Chotin,
JL; Clemino, M; Dulieu, F; Baumgartel, H; Leach, S |
|
Title: Photoion mass spectrometry of
five amino acids in the 6-22 eV photon energy range |
|
Source: CHEMICAL PHYSICS, 298 (1-3):
279-297 MAR 8 2004 |
|
Record
29 of 84 |
|
Author(s): Lesarri, A; Cocinero, EJ; Lopez,
JC; Alonso, JL |
|
Title: The shape of neutral valine |
|
Source: ANGEWANDTE CHEMIE-INTERNATIONAL
EDITION, 43 (5): 605-610 2004 |
|
Record
30 of 84 |
|
Author(s): Rich, JR; Szpacenko, A; Palcic,
MM; Bundle, DR |
|
Title: Glycosyltransferase-catalyzed
synthesis of thiooligosaccharides |
|
Source: ANGEWANDTE CHEMIE-INTERNATIONAL
EDITION, 43 (5): 613-615 2004 |
|
Record
31 of 84 |
|
Author(s): Ahn, DS; Park, SW; Jeon, IS;
Lee, MK; Kim, NH; Han, YH; Lee, S |
|
Title: Effects of microsolvation on the
structures and reactions of neutral and zwitterion alanine: Computational
study |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY B,
107 (50): 14109-14118 DEC 18 2003 |
|
Record
32 of 84 |
|
Author(s): Brinkmann, NR; Tschumper, GS;
Yan, G; Schaefer, HF |
|
Title: An alternative mechanism for the
dimerization of formic acid |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
107 (47): 10208-10216 NOV 27 2003 |
|
Record
33 of 84 |
|
Author(s): Calaza, FC; Rigo, MV; Rinaldoni,
AN; Masman, MF; Koo, JCP; Rodriguez, AM; Enriz, RD |
|
Title: Comprehensive conformational
analysis of N-acetyl-L-isoleucine-N-methylamide: an ab initio study |
|
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 634: 201-213 SEP 5 2003 |
|
Record
34 of 84 |
|
Author(s): Li, P; Bu, YX; Ai, HQ |
|
Title: Conformational study of glycine
amide using density functional theory |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
107 (33): 6419-6428 AUG 21 2003 |
|
Record
35 of 84 |
|
Author(s): Gapeev, A; Dunbar, RC |
|
Title: Na+ affinities of gas-phase
amino acids by ligand exchange equilibrium |
|
Source: INTERNATIONAL JOURNAL OF MASS
SPECTROMETRY, 228 (2-3): 825-839 AUG 15 2003 |
|
Record
36 of 84 |
|
Author(s): Lambie, B; Ramaekers, R; Maes, G |
|
Title: On the contribution of
intramolecular H-bonding entropy to the conformational stability of alanine
conformations |
|
Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 59 (6): 1387-1397 APR 2003 |
|
Record
37 of 84 |
|
Author(s): Park, SW; Ahn, DS; Lee, S |
|
Title: Dynamic paths between neutral
alanine-water and zwitterionic alanine-water clusters: single, double and
triple proton transfer |
|
Source: CHEMICAL PHYSICS LETTERS, 371
(1-2): 74-79 MAR 28 2003 |
|
Record
38 of 84 |
|
Author(s): Czinki, E; Csaszar, AG |
|
Title: Conformers of gaseous proline |
|
Source: CHEMISTRY-A EUROPEAN JOURNAL, 9
(4): 1008-1019 FEB 17 2003 |
|
Record
39 of 84 |
|
Author(s): Powis, I; Rennie, EE;
Hergenhahn, U; Kugeler, O; Bussy-Socrate, R |
|
Title: Investigation of the gas-phase
amino acid alanine by synchrotron radiation photoelectron spectroscopy |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
107 (1): 25-34 JAN 9 2003 |
|
Record
40 of 84 |
|
Author(s): Rennie, EE; Powis, I;
Hergenhahn, U; Kugeler, O; Marburger, S; Watson, TN |
|
Title: Valence and C 1s core-level
photoelectron spectra of butan-2-ol |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
106 (51): 12221-12228 DEC 26 2002 |
|
Record
41 of 84 |
|
Author(s): Gerber, RB; Brauer, B;
Gregurick, SK; Chaban, GM |
|
Title: Calculation of anharmonic
vibrational spectroscopy of small biological molecules |
|
Source: PHYSCHEMCOMM, 5: 142-150 OCT 15
2002 |
|
Record
42 of 84 |
|
Author(s): Kang, YK; Park, HS |
|
Title: Comparative conformational study
of N-acetyl-N '-methylprolineamide with different basis sets |
|
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 593: 55-64 SEP 27 2002 |
|
Record
43 of 84 |
|
Author(s): Marino, T; Russo, N; Toscano, M |
|
Title: Interaction of Cu+ and Cu2+ ions
with alpha-alanine. A density functional study |
|
Source: JOURNAL OF MASS SPECTROMETRY, 37
(8): 786-791 AUG 2002 |
|
Record
44 of 84 |
|
Author(s): Chaudhuri, P; Canuto, S |
|
Title: An ab initio study of the
peptide bond formation between alanine and glycine: electron correlation
effects on the structure and binding energy |
|
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 577 (2-3): 267-279 JAN 31 2002 |
|
Record
45 of 84 |
|
Author(s): Hoyau, S; Pelicier, JP;
Rogalewicz, F; Hoppilliard, Y; Ohanessian, G |
|
Title: Complexation of glycine by
atomic metal cations in the gas phase |
|
Source: EUROPEAN JOURNAL OF MASS
SPECTROMETRY, 7 (4-5): 303-311 2001 |
|
Record
46 of 84 |
|
Author(s): Marino, T; Russo, N; Toscano, M |
|
Title: Potential energy surfaces for
the gas-phase interaction between alpha-alanine and alkali metal ions (Li+,
Na+, K+). A density functional study |
|
Source: INORGANIC CHEMISTRY, 40 (25):
6439-6443 DEC 3 2001 |
|
Record
47 of 84 |
|
Author(s): Nobrega, GF; Sambrano, JR; de
Souza, AR; Queralt, JJ; Longo, E |
|
Title: DFT study of alpha-alanine as a
function of the medium polarity |
|
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 544: 151-157 JUL 2 2001 |
|
Record
48 of 84 |
|
Author(s): Galano, A; Alvarez-Idaboy, JR;
Montero, LA; Vivier-Bunge, A |
|
Title: OH hydrogen abstraction
reactions from alanine and glycine: A quantum mechanical approach |
|
Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 22 (11): 1138-1153 AUG 2001 |
|
Record
49 of 84 |
|
Author(s): Hudaky, P; Jakli, I; Csaszar,
AG; Perczel, A |
|
Title: Peptide models XXXI.
Conformational properties of hydrophobic residues shaping the core of
proteins. An ab initio study of N-formyl-L-valinamide and
N-formyl-L-phenylalaninamide |
|
Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 22 (7): 732-751 MAY 2001 |
|
Record
50 of 84 |
|
Author(s): Berger, R; Quack, M |
|
Title: Electroweak quantum chemistry of
alanine: Parity violation in gas and condensed phases |
|
Source: CHEMPHYSCHEM, 1 (1): 57-+ AUG 4
2000 |
|
Record
51 of 84 |
|
Author(s): Laerdahl, JK; Wesendrup, R;
Schwerdtfeger, P |
|
Title: D- or L-alanine: That is the
question |
|
Source: CHEMPHYSCHEM, 1 (1): 60-+ AUG 4
2000 |
|
Record
52 of 84 |
|
Author(s): Perczel, A; Csaszar, AG |
|
Title: Toward direct determination of
conformations of protein building units from multidimensional NMR experiments
part II: A theoretical case study of Formyl-L-Valine amide |
|
Source: CHEMISTRY-A EUROPEAN JOURNAL, 7
(5): 1069-1083 MAR 2 2001 |
|
Record
53 of 84 |
|
Author(s): Noguera, M; Rodriguez-Santiago,
L; Sodupe, M; Bertran, J |
|
Title: Protonation of glycine, serine
and cysteine. Conformations, proton affinities and intrinsic basicities |
|
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 537: 307-318 Sp. Iss. SI MAR 12 2001 |
|
Record
54 of 84 |
|
Author(s): Zhao, XY; Zhao, RG; Yang, WS |
|
Title: Scanning tunneling microscopy
investigation of L-lysine adsorbed on Cu(001) |
|
Source: LANGMUIR, 16 (25): 9812-9818 DEC
12 2000 |
|
Record
55 of 84 |
|
Author(s): Perczel, A; Csaszar, AG |
|
Title: Toward direct determination of
conformations of protein building units from multidimensional NMR experiments
I. A theoretical case study of For-Gly-NH2 and For-L-Ala-NH2 |
|
Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 21 (10): 882-900 JUL 30 2000 |
|
Record
56 of 84 |
|
Author(s): Marino, T; Russo, N; Toscano, M |
|
Title: Gas-phase metal ion (Li+, Na+,
Cu+) affinities of glycine and alanine |
|
Source: JOURNAL OF INORGANIC
BIOCHEMISTRY, 79 (1-4): 179-185 APR 2000 |
|
Record
57 of 84 |
|
Author(s): Cao, XL; Fischer, G |
|
Title: Infrared spectra of monomeric
L-alanine and L-alanine-N-d(3) zwitterions isolated in a KBr matrix |
|
Source: CHEMICAL PHYSICS, 255 (2-3):
195-204 MAY 1 2000 |
|
Record
58 of 84 |
|
Author(s): Jakli, I; Perczel, A; Farkas, O;
Csaszar, AG; Sosa, C; Csizmadia, IG |
|
Title: Peptide models XXIII.
Conformational model for polar side-chain containing amino acid residues: A
comprehensive analysis of RHF, DFT, and MP2 properties of HCO-L-SER-NH2 |
|
Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 21 (8): 626-655 JUN 2000 |
|
Record
59 of 84 |
|
Author(s): Fernandez-Ramos, A;
Cabaleiro-Lago, E; Hermida-Ramon, JM; Martinez-Nunez, E; Pena-Gallego, A |
|
Title: DFT conformational study of
cysteine in gas phase and aqueous solution |
|
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 498: 191-200 FEB 28 2000 |
|
Record
60 of 84 |
|
Author(s): Cao, X; Fischer, G |
|
Title: The infrared spectra and
molecular structure of zwitterionic L-beta-phenylalanine |
|
Source: JOURNAL OF MOLECULAR STRUCTURE,
519: 153-163 FEB 29 2000 |
|
Record
61 of 84 |
|
Author(s): Powis, I |
|
Title: Photoelectron spectroscopy and
circular dichroism in chiral biomolecules: L-alanine |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
104 (5): 878-882 FEB 10 2000 |
|
Record
62 of 84 |
|
Author(s): Cao, XL; Fischer, G |
|
Title: Infrared spectral, structural,
and conformational studies of zwitterionic L-tryptophan |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
103 (48): 9995-10003 DEC 2 1999 |
|
Record
63 of 84 |
|
Author(s): Cao, XL; Fischer, G |
|
Title: New infrared spectra and the
tautomeric studies of purine and alpha L-alanine with an innovative sampling
technique |
|
Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 55 (11): 2329-2342 SEP 20 1999 |
|
Record
64 of 84 |
|
Author(s): Iijima, K; Nakano, M |
|
Title: Reinvestigation of molecular
structure and conformation of gaseous L-alanine by joint analysis using
electron diffraction data and rotational constants |
|
Source: JOURNAL OF MOLECULAR STRUCTURE,
486: 255-260 Sp. Iss. SI AUG 10 1999 |
|
Record
65 of 84 |
|
Author(s): Topol, IA; Burt, SK; Russo, N;
Toscano, M |
|
Title: Theoretical calculations of
glycine and alanine gas-phase acidities |
|
Source: JOURNAL OF THE AMERICAN SOCIETY
FOR MASS SPECTROMETRY, 10 (4): 318-322 APR 1999 |
|
Record
66 of 84 |
|
Author(s): Sambrano, JR; de Souza, AR;
Queralt, JJ; Andres, J; Longo, E |
|
Title: Ab-initio study of alpha-alanine
in aqueous medium. |
|
Source: QUIMICA NOVA, 22 (4): 501-505
JUL-AUG 1999 |
|
Record
67 of 84 |
|
Author(s): Lavrich, RJ; Farrar, JO;
Tubergen, MJ |
|
Title: Heavy-atom structure of
alaninamide from rotational spectroscopy |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
103 (24): 4659-4663 JUN 17 1999 |
|
Record
68 of 84 |
|
Author(s): Stepanian, SG; Reva, ID;
Radchenko, ED; Adamowicz, L |
|
Title: Combined matrix-isolation
infrared and theoretical DFT and ab initio study of the nonionized valine
conformers |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
103 (22): 4404-4412 JUN 3 1999 |
|
Record
69 of 84 |
|
Author(s): Huang, JH; Han, KL; Zhu, RS; He,
GZ |
|
Title: The structure and vibrational
spectrum of phenyl radical (neutral, anionic, cationic) |
|
Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 55 (6): 1165-1175 JUN 1999 |
|
Record
70 of 84 |
|
Author(s): Prabhu, NV; Perkyns, JS; Blatt,
HD; Smith, PE; Pettitt, BM |
|
Title: Comparison of the potentials of
mean force for alanine tetrapeptide between integral equation theory and
simulation |
|
Source: BIOPHYSICAL CHEMISTRY, 78 (1-2):
113-126 APR 5 1999 |
|
Record
71 of 84 |
|
Author(s): Csaszar, AG; Perczel, A |
|
Title: Ab initio characterization of
building units in peptides and proteins |
|
Source: PROGRESS IN BIOPHYSICS &
MOLECULAR BIOLOGY, 71 (2): 243-309 1999 |
|
Record
72 of 84 |
|
Author(s): Zhang, K; Chung-Phillips, A |
|
Title: Conformers of gaseous protonated
glycine |
|
Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 19 (16): 1862-1876 DEC 1998 |
|
Record
73 of 84 |
|
Author(s): Sambrano, JR; de Sousa, AR;
Queralt, JJ; Andres, J; Longo, E |
|
Title: A theoretical analysis on the
intramolecular proton transfer of alpha-alanine in an aqueous medium |
|
Source: CHEMICAL PHYSICS LETTERS, 294
(1-3): 1-8 SEP 11 1998 |
|
Record
74 of 84 |
|
Author(s): Tajkhorshid, E; Jalkanen, KJ;
Suhai, S |
|
Title: Structure and vibrational
spectra of the zwitterion L-alanine in the presence of explicit water
molecules: A density functional analysis |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY B,
102 (30): 5899-5913 JUL 23 1998 |
|
Record
75 of 84 |
|
Author(s): Csaszar, AG; Allen, WD;
Schaefer, HF |
|
Title: In pursuit of the ab initio
limit for conformational energy prototypes |
|
Source: JOURNAL OF CHEMICAL PHYSICS, 108
(23): 9751-9764 JUN 15 1998 |
|
Record
76 of 84 |
|
Author(s): Tortonda, FR; Pascual-Ahuir, JL;
Silla, E; Tunon, I; Ramirez, FJ |
|
Title: Aminoacid zwitterions in
solution: Geometric, energetic, and vibrational analysis using density
functional theory continuum model calculations |
|
Source: JOURNAL OF CHEMICAL PHYSICS, 109
(2): 592-602 JUL 8 1998 |
|
Record
77 of 84 |
|
Author(s): Stepanian, SG; Reva, ID;
Radchenko, ED; Adamowicz, L |
|
Title: Conformational behavior of
alpha-alanine. Matrix-isolation infrared and theoretical DFT and ab initio
study |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
102 (24): 4623-4629 JUN 11 1998 |
|
Record
78 of 84 |
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Author(s): Topol, IA; Burt, SK; Toscano, M;
Russo, N |
|
Title: Protonation of glycine and
alanine: proton affinities, intrinsic basicities and proton transfer path |
|
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 430: 41-49 APR 14 1998 |
|
Record
79 of 84 |
|
Author(s): Huang, JH; Han, KL; Zhu, RS; He,
GZ; Lou, NQ |
|
Title: Unimolecular pyrolysis
mechanisms of monothioformic and dithioformic acids. An ab initio study and
evaluation of rate constant |
|
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
102 (11): 2044-2049 MAR 12 1998 |
|
Record
80 of 84 |
|
Author(s): Ramek, M; Kelterer, AM; Nikolic,
S |
|
Title: Ab initio and molecular
mechanics conformational analysis of neutral L-proline |
|
Source: INTERNATIONAL JOURNAL OF QUANTUM
CHEMISTRY, 65 (6): 1033-1045 DEC 20 1997 |
|
Record
81 of 84 |
|
Author(s): Perczel, A; Farkas, O; Csaszar,
AG; Csizmadia, IG |
|
Title: Peptide models .20. Aromatic
side-chain - Backbone interaction in phenylalanine-containing diamide model
system. A systematic search for the identification of all the ab initio
conformers of N-formyl-L-phenylalanine-amide |
|
Source: CANADIAN JOURNAL OF
CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 75 (8): 1120-1130 AUG 1997 |
|
Record
82 of 84 |
|
Author(s): Kikuchi, O; Watanabe, T; Ogawa,
Y; Takase, H; Takahashi, O |
|
Title: Ab initio MO and Monte Carlo
simulation study on the conformation of L-alanine zwitterion in aqueous
solution |
|
Source: JOURNAL OF PHYSICAL ORGANIC
CHEMISTRY, 10 (3): 145-151 MAR 1997 |
|
Record
83 of 84 |
|
Author(s): Hoyau, S; Ohanessian, G |
|
Title: Absolute affinities of
alpha-amino acids for Cu+ in the gas phase. A theoretical study |
|
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 119 (8): 2016-2024 FEB 26 1997 |
|
Record
84 of 84 |
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Author(s): Rauk, A; Yu, D; Armstrong, DA |
|
Title: Toward site specificity of
oxidative damage in proteins: C-H and C-C bond dissociation energies and
reduction potentials of the radicals of alanine, serine, and threonine
residues - An ab initio study |
|
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 119 (1): 208-217 JAN 8 1997 |