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Angel C. de Dios
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Secondary and tertiary structural effects on protein NMR chemical shifts: an ab initio approach
AC De Dios, JG Pearson, E Oldfield
Science 260 (5113), 1491-1496, 1993
5781993
Ab initio calculations of the NMR chemical shift
AC de Dios
Progress in Nuclear Magnetic Resonance Spectroscopy 29 (3-4), 229-278, 1996
2801996
Solution structures of antimalarial drug− heme complexes
A Leed, K DuBay, LMB Ursos, D Sears, AC De Dios, PD Roepe
Biochemistry 41 (32), 10245-10255, 2002
2232002
Absolute shielding scale for 31P from gas-phase NMR studies
CJ Jameson, A De Dios, AK Jameson
Chemical physics letters 167 (6), 575-582, 1990
2141990
Quinoline drug–heme interactions and implications for antimalarial cytostatic versus cytocidal activities
AP Gorka, A de Dios, PD Roepe
Journal of medicinal chemistry 56 (13), 5231-5246, 2013
1972013
4-N-, 4-S-, and 4-O-Chloroquine Analogues: Influence of Side Chain Length and Quinolyl Nitrogen pKa on Activity vs Chloroquine Resistant Malaria
JK Natarajan, JN Alumasa, K Yearick, KA Ekoue-Kovi, LB Casabianca, ...
Journal of medicinal chemistry 51 (12), 3466-3479, 2008
1572008
Ab initio calculations of the intermolecular chemical shift in nuclear magnetic resonance in the gas phase and for adsorbed species
CJ Jameson, AC de Dios
The Journal of chemical physics 97 (1), 417-434, 1992
1361992
An ab Initio Quantum Chemical Investigation of Carbon-13 NMR Shielding Tensors in Glycine, Alanine, Valine, Isoleucine, Serine, and Threonine: Comparisons between Helical and …
RH Havlin, H Le, D David, Angel C. deDios,# and, E Oldfield
Journal of the American Chemical Society 119 (49), 11951-11958, 1997
1291997
Ab initio calculations of NMR chemical shifts
LB Casabianca, AC De Dios
The Journal of chemical physics 128 (5), 2008
1282008
Solid-state 15N NMR chemical shift anisotropy of histidines: experimental and theoretical studies of hydrogen bonding
Y Wei, AC de Dios, AE McDermott
Journal of the American Chemical Society 121 (44), 10389-10394, 1999
1231999
Protein structure refinement and prediction via NMR chemical shifts and quantum chemistry
H Le, JG Pearson, AC De Dios, E Oldfield
Journal of the American Chemical Society 117 (13), 3800-3807, 1995
1181995
Synthesis and antimalarial activity of new 4-amino-7-chloroquinolyl amides, sulfonamides, ureas and thioureas
K Ekoue-Kovi, K Yearick, DP Iwaniuk, JK Natarajan, J Alumasa, ...
Bioorganic & medicinal chemistry 17 (1), 270-283, 2009
1082009
NMR studies of chloroquine− ferriprotoporphyrin IX complex
AC De Dios, R Tycko, LMB Ursos, PD Roepe
The Journal of Physical Chemistry A 107 (30), 5821-5825, 2003
1082003
Methods for computing nuclear magnetic resonance chemical shielding in large systems. Multiple cluster and charge field approaches
AC de Dios, E Oldfield
Chemical physics letters 205 (1), 108-116, 1993
1081993
Ab initio study of the effects of torsion angles on carbon-13 nuclear magnetic resonance chemical shielding in N-formyl-L-alanine amide, N-formyl-L-valine amide, and some …
AC de Dios, E Oldfield
Journal of the American Chemical Society 116 (12), 5307-5314, 1994
1061994
An experimental and quantum chemical investigation of CO binding to heme proteins and model systems: a unified model based on 13C, 17O, and 57Fe nuclear magnetic resonance and …
MT McMahon, Angel C. deDios,, N Godbout, R Salzmann, D David, H Le, ...
Journal of the American Chemical Society 120 (19), 4784-4797, 1998
1051998
Nuclear magnetic resonance studies of xenon clusters in zeolite NaA
CJ Jameson, AK Jameson, R Gerald, AC de Dios
The Journal of Chemical Physics 96 (3), 1676-1689, 1992
1011992
Predicting carbon-13 nuclear magnetic resonance chemical shielding tensors in zwitterionic L-threonine and L-tyrosine via quantum chemistry
AC de Dios, DD Laws, E Oldfield
Journal of the American Chemical Society 116 (17), 7784-7786, 1994
971994
Xe nuclear magnetic resonance line shapes in nanochannels
CJ Jameson, AC de Dios
The Journal of chemical physics 116 (9), 3805-3821, 2002
932002
Chemical shifts in proteins: an ab initio study of carbon-13 nuclear magnetic resonance chemical shielding in glycine, alanine, and valine residues
AC de Dios, JG Pearson, E Oldfield
Journal of the American Chemical Society 115 (21), 9768-9773, 1993
931993
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