G. Maggiora

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Ab Initio Calculations on Large Molecules Using Molecular Fragments. Hydrocarbon Characterizations

R. Christoffersen, Donald W. Genson, G. Maggiora, 1971 .

Ab initio calculations on large molecules using molecular fragments. SCF-MO-CI Studies on low-lying singlet and triplet states of pyrazine

J. D. Petke, R. Christoffersen, L. L. Shipman, 2009 .

Energetics of the structure of the four-alpha-helix bundle in proteins.

G M Maggiora, H A Scheraga, H. Scheraga, 1988, Proceedings of the National Academy of Sciences of the United States of America.

Domain structural class prediction.

G M Maggiora, K. Chou, G. Maggiora, 1998, Protein engineering.

Determination and characterization of a transition structure for water–formaldehyde addition

I. Williams, G. Maggiora, D. Spangler, 1983 .

Prediction and classification of domain structural classes

K. Chou, C. Zhang, Chun-Ting Zhang, 1998, Proteins.

Quasi-continuum models of twist-like and accordion-like low-frequency motions in DNA.

G M Maggiora, K. Chou, G. Maggiora, 1989, Biophysical journal.

Solitary wave dynamics as a mechanism for explaining the internal motion during microtubule growth

G M Maggiora, K. Chou, C. Zhang, 1994, Biopolymers.

Predicting protein structural classes from amino acid composition: application of fuzzy clustering.

K. Chou, C. Zhang, G. Maggiora, 1995, Protein engineering.

Combining Fuzzy Clustering and Neural Networks to Predict Protein Structural Classes

Kuo-Chen Chou, Chun-Ting Zhang, G. M. Maggiora, 1996 .

Electronic Excited States of Biomolecular Systems: Ab Initio FSGO-based Quantum Mechanical Methods with Applications to Photosynthetic and Related Systems

J. D. Petke, R. Christoffersen, G. Maggiora, 1991 .

Stereoelectronic properties of photosynthetic and related systems: Ab initio configuration interaction calculations on the ground and lower excited singlet and triplet states of magnesium porphine and porphine

J. D. Petke, R. Christoffersen, L. L. Shipman, 1978 .

Chlorophyll triplet states

G. Maggiora, L. Ingraham, 1967 .

Dipole sums and intermolecular interaction coefficients derived from refractive index data

G. Maggiora, A. T. Amos, J. A. Yoffe, 1986 .

Theoretical aspects of the structural chemistry of biotin. II. Carboxylated biotins.

G. Maggiora, 1974, Journal of theoretical biology.

Theoretical aspects of the structural chemistry of biotin. I. The electronic structure of biotin and protonated biotins.

G. Maggiora, 1973, Journal of theoretical biology.

Electronic structure of porphyrins. III. All-valence-electron SCF-MO-CI calculations of the excited singlet states of dianion and free base reduced porphins†

G. Maggiora, Ludwik J. Weimann, 2009 .

Electronic structure of porphyrins. All-valence-electron SCF MO CI calculations of the spectra of dianion and free base porphin

G. Maggiora, Ludwik J. Weimann, 1973 .

Some rules forS(-2k) dipole sums?

G. Maggiora, A. T. Amos, J. A. Yoffe, 1981 .

STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS—VIII. AB INITIO QUANTUM MECHANICAL CHARACTERIZATION OF THE ELECTRONIC STRUCTURE AND SPECTRUM OF THE BACTERIOPHEOPHORBIDE a ANION RADICAL

J. D. Petke, R. Christoffersen, G. Maggiora, 1980 .

STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS—VII. AB INITIO QUANTUM MECHANICAL CHARACTERIZATION OF THE ELECTRONIC STRUCTURE AND SPECTRA OF CHLOROPHYLLIDE a AND BACTERIOCHLOROPHYLLIDE a CATION RADICALS

J. D. Petke, R. Christoffersen, G. Maggiora, 1980 .

The structure of dinitrogen pentoxide

J. Carpenter, G. Maggiora, 1982 .

DEVELOPMENT OF THEORETICAL METHODOLOGY FOR LARGE MOLECULES *

J. D. Petke, R. Christoffersen, G. Maggiora, 1981 .

Ab initio calculations on large molecules using molecular fragments. Initial studies on open shell systems

R. Christoffersen, G. Maggiora, T. D. Davis, 1973 .

Ab initio calculations on large molecules using molecular fragments First order electronic properties for hydrocarbons

R. Christoffersen, Donald W. Genson, G. Maggiora, 1971 .

Coupling of proton motions in catalytic activated complexes. Model potential-energy surfaces for hydrogen-bond chains

R. Schowen, G. Maggiora, R. Gandour, 1974 .

Linearity and the unimportance of tunnelling in hydride transfer: ab initio MO studies

R. Schowen, I. Williams, G. Maggiora, 1986 .

Stereoelectronic properties of photosynthetic and related systems. II. Ab initio quantum mechanical ground state characterization of magnesium porphine, magnesium chlorin, and ethyl chlorophyllide a. [Comparison with Mg-free analog]

R. Christoffersen, G. Maggiora, D. Spangler, 1977 .

STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS. 1. AB INITIO QUANTUM MECHANICAL GROUND STATE CHARACTERIZATION OF FREE BASE PORPHINE, CHLORIN, AND ETHYL PHEOPHORBIDE A

R. Christoffersen, G. Maggiora, D. Spangler, 1977 .

The electronic spectra of the isomers of reduced l-alkyl-nicotinamide.

G. Maggiora, L. Ingraham, H. Johansen, 1969, Archives of biochemistry and biophysics.

Nature and location of excited charge-transfer states in the porphine-magnesium porphine dimer

Gerald M. Maggiora, J. D. Petke, G. Maggiora, 1983 .

Assessment of reaction center special-pair chlorophyll models

G. Maggiora, 1979 .

STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS — V. AB INITIO CONFIGURATION INTERACTION CALCULATIONS ON THE GROUND AND LOWER EXCITED SINGLET AND TRIPLET STATES OF ETHYL CHLOROPHYLLIDE a AND ETHYL PHEOPHORBIDE a

J. D. Petke, R. Christoffersen, G. Maggiora, 1979 .

Development of a flexible intra‐ and intermolecular empirical potential function for large molecular systems

R. Christoffersen, G. Maggiora, D. Duchamp, 1981 .

Intermolecular interaction energies from minimal-basis SCF calculations. Interactions pertinent to formaldehyde hydration

I. Williams, G. Maggiora, 1982 .

Ab initio quantum-mechanical characterization of the electronic states of anthraquinone, quinizarin, and 1,4-diamino anthraquinone

J. D. Petke, G. Maggiora, P. Butler, 1985 .

Evaluation of approximations in molecular exciton theory. 2. Applications to oligomeric systems of interest in photosynthesis

J. D. Petke, G. Maggiora, D. Lalonde, 1988 .

Structural characterization of a special‐pair chlorophyll dimer model of P700

R. Christoffersen, G. Maggiora, T. Oie, 2009 .

EXPERIMENTAL and THEORETICAL STUDIES OF SCHIFF BASE CHLOROPHYLLS

J. D. Petke, G. Maggiora, L. Maggiora, 1985 .

Ab initio calculations on large molecules using molecular fragments. Nitroxide spin label characterizations

R. Christoffersen, G. Maggiora, T. D. Davis, 1975 .

Ab initio calculations on large molecules using molecular fragments: Comparison of charge distribution and molecular electrostatic potential for ethyl chlorophyllide a and related molecules

R. Christoffersen, G. Maggiora, T. Oie, 2009 .

Molecular Orbital Evidence for Weiss's Oxyhæmoglobin Structure

G. Maggiora, R. Viale, RICHARD O. VIALE, 1964, Nature.

Quantum-Mechanical Approaches to the Study of Enzymic Transition States and Reaction Paths

R. Christoffersen, G. Maggiora, 1978 .

AB INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS, NITROXIDE SPIN LABEL CHARACTERIZATIONS

R. Christoffersen, G. Maggiora, T. D. Davis, 1975 .

STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS. 2. AB INITIO QUANTUM MECHANICAL GROUND STATE CHARACTERIZATION OF MAGNESIUM PORPHINE, MAGNESIUM CHLORIN, AND ETHYL CHLOROPHYLLIDE A

R. Christoffersen, G. Maggiora, D. Spangler, 1978 .

Reaction-surface topography for hydride transfer: ab initio MO studies of isoelectronic systems methoxide + formaldehyde and methylamine + methaniminium (CH3O- + CH2O and CH3NH2 + CH2NH2+)

I. Williams, G. Maggiora, A. B. Miller, 1990 .

Excited states of all‐trans and 11‐cis retinal: All valence‐electron SCF‐MO‐CI calculations

G. Maggiora, P. E. Blatz, Ludwik J. Weimann, 2009 .

Ab initio calculations on large molecules using molecular fragments. Preliminary investigation of ethyl chlorophyllide a and related molecules

R. Christoffersen, G. Maggiora, D. Spangler, 1975 .

Electronic structure of porphyrins. All valence electron self-consistent field molecular orbital calculations of free base, magnesium, and aquomagnesium porphines.

G. Maggiora, 1973, Journal of the American Chemical Society.

A General Analysis of Field-Based Molecular Similarity Indices

Jordi Mestres, Gerald M. Maggiora, J. D. Petke, 2002 .

Mass‐weighted molecular dynamics simulation of cyclic polypeptides

G M Maggiora, K. Chou, K. Chou, 1991, Biopolymers.

Ab initio configuration interaction and random phase approximation calculations of the excited singlet and triplet states of uracil and cytosine

J. D. Petke, R. Christoffersen, G. Maggiora, 1990 .

Ab initio configuration interaction and random phase approximation calculations of the excited singlet and triplet states of adenine and guanine

J. D. Petke, R. Christoffersen, G. Maggiora, 1990 .

Biological functions of low-frequency vibrations (phonons). 7. The impetus for DNA to accommodate intercalators

G. M. Maggiora, G. Maggiora, K. Chou, 1988 .

Theoretical probes of activated-complex structure and properties: substituent effects in carbonyl addition

R. Schowen, I. Williams, G. Maggiora, 1985 .

Theoretical characterization of proton-induced spectral shifts in Schiff base porphyrins

J. D. Petke, G. Maggiora, 1984 .

Theoretical models for solvation and catalysis in carbonyl addition

Ian H. Williams, D. A. Femec, Gerald M. Maggiora, 1983 .

STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS. XI. AB INITIO QUANTUM MECHANICAL CHARACTERIZATION OF THE ELECTRONIC STRUCTURE AND SPECTRA OF THE CHLOROPHYLLIDE a AND PHEOPHORBIDE a ANION RADICALS

J. D. Petke, R. Christoffersen, G. Maggiora, 1982 .

STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS—IX. AB INITIO QUANTUM MECHANICAL CHARACTERIZATION OF THE ELECTRONIC STRUCTURE AND SPECTRUM OF THE BACTERIOCHLOROPHYLLIDE a ANION RADICAL

J. D. Petke, R. Christoffersen, G. Maggiora, 1981 .

Theoretical models for mechanism and catalysis in carbonyl addition

R. Schowen, I. Williams, G. Maggiora, 1980 .

STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS—VI. AB INITIO CONFIGURATION INTERACTION CALCULATIONS ON THE GROUND AND LOWER EXCITED SINGLET AND TRIPLET STATES OF ETHYL BACTERIOCHLOROPHYLLIDE‐a AND ETHYL BACTERIOPHEOPHORBIDE‐a ‡

J. D. Petke, R. Christoffersen, G. Maggiora, 1980 .

The london approximation and the calculation of dispersion interactions as a sum of atom-atom terms

G. Maggiora, J. A. Yoffe, 1980 .

Ab initio calculations on large molecules using molecular fragments. Generalization and characteristics of floating spherical Gaussian basis sets

R. Christoffersen, G. Maggiora, 1976 .

Proton bridges in enzyme catalysis

R. Schowen, G. Maggiora, R. Gandour, 1975 .

Ab initio calculations on large molecules using molecular fragments. Unrestricted Hartree-Fock calculations of the low-lying states of formaldehyde and its radical ions

R. Christoffersen, G. Maggiora, T. D. Davis, 1974 .

AB INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS, EVALUATION AND EXTENSION OF INITIAL PROCEDURES

G. G. Hall, R. Christoffersen, G. Maggiora, 1974 .

ELECTRONIC STRUCTURE OF PORPHYRINS, ALL VALENCE ELECTRON SELF-CONSISTENT FIELD MOLECULAR ORBITAL CALCULATIONS OF FREE BASE, MAGNESIUM, AND AQUOMAGNESIUM PORPHINES

G. Maggiora, 1973 .

Ab initio calculations on large molecules using molecular fragments. Evaluation and extension of initial procedures

G. G. Hall, R. Christoffersen, G. Maggiora, 1973 .

Prospective Feasibility Trial for Genomics-Informed Treatment in Recurrent and Progressive Glioblastoma

Jennie W. Taylor, Winnie S. Liang, Susan M. Chang, 2017, Clinical Cancer Research.

Theoretical and empirical approaches to protein-structure prediction and analysis.

K. Chou, G. Maggiora, B. Mao, 1991, Methods of biochemical analysis.

Theoretical Models for Transition-State Structure and Catalysis in Carbonyl Addition

D. A. Femec, R. Schowen, I. Williams, 1980 .

A heuristic approach to predicting the tertiary structure of bovine somatotropin.

G M Maggiora, K. Chou, G. Maggiora, 1991, Biochemistry.

An energy‐based approach to packing the 7‐helix bundle of bacteriorhodopsin

M. W. Schulz, K. Chou, G. Maggiora, 1992, Protein science : a publication of the Protein Society.

Energetics of the structure of the four-a-helix bundle in proteins ( conformational energy computation / packing of helices / protein conformation / twisted structures in proteins )

K. Chou, G. Maggiora, H. A. SCHERAGAt, 2022 .

Computer Modeling of Constrained Peptide Systems

K. Chou, W. Howe, J. Blinn, 1992 .

Use and abuse of the distinguished-coordinate method for transition-state structure searching

Ian H. Williams, Gerald M. Maggiora, I. Williams, 1982 .

PROTONATED SCHIFFS BASE CHLOROPHYLL: A MODEL FOR P700?

G. Maggiora, L. Maggiora, 1984 .

Nature and location of excited charge‐transfer states in porphyrin dimers: Development of preliminary design characteristics for biomimetic solar energy conversion systems

J. D. Petke, G. Maggiora, 1986 .

Ab initio calculations on large molecules using molecular fragments. Preliminary investigations

Gerald M. Maggiora, Ralph E. Christoffersen, R. Christoffersen, 1969 .

Stereoelectronic properties of photosynthetic and related systems. 10. Quantum mechanical characterization of the excited states of ethyl chlorophyllide a enol

J. D. Petke, R. Christoffersen, G. Maggiora, 1981 .

Role of loop-helix interactions in stabilizing four-helix bundle proteins.

G M Maggiora, H A Scheraga, H. Scheraga, 1992, Proceedings of the National Academy of Sciences of the United States of America.

Disposition of amphiphilic helices in heteropolar environments

G M Maggiora, Chun-Ting Zhang, K. Chou, 1997, Proteins.

Chiral Features of Proteins

K. Chou, G. Maggiora, B. Mao, 1991 .

Application of the shape group method to conformational processes: Shape and conjugation changes in the conformers of 2‐phenyl pyrimidine

Paul G. Mezey, Mark A. Johnson, P. Duane Walker, 1995, J. Comput. Chem..

Solvation thermodynamics of polar molecules in aqueous solution by the XRISM method

G. Maggiora, Pil H. Lee, 1993 .

A new chiral feature in α‐helical domains of proteins

Kuo-Chen Chou, Paul G. Mezey, G. M. Maggiora, 1990 .