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Masthead

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Masthead

  • Page: fmi
  • First Published: 13 March 1993

Introduction

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Introduction

N. Y. Öhrn,  J. R. Sabin,  M. C. Zerner, 
  • Pages: v-vi
  • First Published: 13 March 1993

List of Participants

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1993 Saniebel symposia list of participants

  • Pages: vii-xxiii
  • First Published: 13 March 1993

Articles

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Ab initio calculations on ONOOH and ONOO−

W. H. Koppenol,  L. Klasinc, 
  • Pages: 1-6
  • First Published: 13 March 1993
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Hydroxyl stretching in substituted phenols: An AM1 study

Marcus E. Brewster,  Ming-Ju Huang,  Emil Pop,  Nicholas Bodor, 
  • Pages: 7-15
  • First Published: 13 March 1993
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A theoretical study of the dithionite reduction of pyridinium salts

Emil Pop,  Marcus E. Brewster,  Nicholas Bodor,  Ming-Ju Huang, 
  • Pages: 17-24
  • First Published: 13 March 1993
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Hierarchies of simulation methods in understanding biomolecular function

Erick Jakobsson, 
  • Pages: 25-36
  • First Published: 13 March 1993
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A quantum mechanical investigation of the annealing energy for phosphodiester, formacetal, and thioformacetal backbones

Frank K. Brown,  James M. Veal, 
  • Pages: 37-47
  • First Published: 13 March 1993
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Electrostatic properties of glutathione: A quantum molecular study

H. Broch,  M. Msellem,  R. Viani,  D. Vasilescu, 
  • Pages: 49-63
  • First Published: 13 March 1993
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Pathways and mobile π electrons in biological electron transfer

Sven Larsson,  Manuel Braga, 
  • Pages: 65-76
  • First Published: 13 March 1993
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Modeling proton transfer potentials in angularly deformed hydrogen bonds

Xiaofeng Duan,  Steve Scheiner,  Rongshun Wang, 
  • Pages: 77-87
  • First Published: 13 March 1993
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Proton transfer to ubiquinone QB in the photosynthetic reaction center of Rps. Viridis: The role of electrostatic interactions

C. Cometta-Morini,  C. Scharnagl,  S. F. Fischer, 
  • Pages: 89-106
  • First Published: 13 March 1993
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On the spectral properties of tryptamine derivatives

Joaquim Delphino Da Motta Neto,  Ricardo Bicca De Alencastro, 
  • Pages: 107-116
  • First Published: 13 March 1993
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Temperature-induced changes in protein heat capacity

Rocio Palma, 
  • Pages: 117-125
  • First Published: 13 March 1993
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Polarization effects on the reversible and covalent DNA binding of bay- and K-region metabolites of benzo [a] pyrene and benz [a] anthracene

Ho Soon Kim,  Pierre R. Lebreton, 
  • Pages: 127-138
  • First Published: 13 March 1993
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The inverse molecular transform index: A descriptor for molecular similarity analysis

James W. King, 
  • Pages: 139-145
  • First Published: 13 March 1993
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Molecular determinants of recognition and activation at the μ-opioid receptor by met-enkephalin-like peptides

Juan J. Perez,  Hugo O. Villar,  Ed Uyeno,  Lawrence Toll,  Christopher Olsen,  Wilma Polgar,  Gilda H. Loew, 
  • Pages: 147-160
  • First Published: 13 March 1993
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Binding of flexible ligands to proteins: Valproic acid and its interaction with cytochrome P450cam

Yan- Tyng Chang,  Gilda H. Loew,  Allan E. Rettie,  Thomas A. Baillie,  Pamela R. Sheffels,  Paul R. Ortiz De Montellano, 
  • Pages: 161-180
  • First Published: 13 March 1993
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Behavior of interaction energy and intramolecular bond stretch in linear and bifurcated hydrogen bonds

Xiaofeng Duan,  Steve Scheiner, 
  • Pages: 181-190
  • First Published: 13 March 1993
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Long-range interactions of substituents in steroidal molecules

L. Klasinc,  Lj. Paša-Tolić,  H. Spiegl,  J. V. Knop,  S. P. Mcglynn, 
  • Pages: 191-198
  • First Published: 13 March 1993
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Reversible photochemistry in the α-subunit of phycoerythrocyanin: Characterization of chromophore and protein by electrostatic calculations

C. Scharnagl,  C. Cometta-Morini,  S. F. Fischer, 
  • Pages: 199-212
  • First Published: 13 March 1993
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Counterion condensation theory revisited: Limits on its applicability

George R. Pack,  Gene Lamm, 
  • Pages: 213-230
  • First Published: 13 March 1993