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An effective fragment method for modeling solvent effects in quantum mechanical calculations

The Journal of chemical physics, 1996-08, Vol.105 (5), p.1968-1986

1996

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A Comprehensive Energy Component Analysis of the Interaction of Hard and Soft Dications with Biological Ligands

Journal of the American Chemical Society, 1994-04, Vol.116 (8), p.3556-3567

1994

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Carbonic Anhydrase Reactivity, Mutation, and Inhibition Probed with a Model of ab Initio Quantum Chemistry within a Protein

The journal of physical chemistry. B, 1997-04, Vol.101 (15), p.2945-2953

Garmer, David R

1997

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Ab initio quantum chemical study of the cobalt d-d spectroscopy of several substituted zinc enzymes

Journal of the American Chemical Society, 1993-11, Vol.115 (22), p.10247-10257

1993

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Modeling of inhibitor-metalloenzyme interactions and selectivity using molecular mechanics grounded in quantum chemistry

Proteins, structure, function, and bioinformatics, 1998-04, Vol.31 (1), p.42-60

1998

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Transferability of molecular distributed polarizabilities from a simple localized orbital based method

Journal of physical chemistry (1952), 1989-12, Vol.93 (25), p.8263-8270

1989

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Comparative binding energetics of Mg2+, Ca2+, Zn2+, and Cd2+ to biologically relevant ligands: Combined ab initio SCF supermolecule and molecular mechanics investigation

Journal of computational chemistry, 1996-09, Vol.17 (12), p.1481-1495

1996

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Comparative binding energetics of Mg 2+ , Ca 2+ , Zn 2+ , and Cd 2+ to biologically relevant ligands: Combined ab initio SCF supermolecule and molecular mechanics investigation

Journal of computational chemistry, 1996-09, Vol.17 (12), p.1481-1495

1996

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MD Simulations of a 5-HT 2A Receptor Model in DOPC Membranes

Journal of biomolecular structure & dynamics, 1997-04, Vol.14 (5), p.525-546

Garmer, David R.

1997

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MD Simulations of a 5-HT2A Receptor Model in DOPC Membranes

Journal of biomolecular structure & dynamics, 1997-04, Vol.14 (5), p.525-546

Garmer, David R.

1997

Volltextzugriff (PDF)

Extrapolation of the time-step bias in diffusion quantum Monte Carlo by a differential sampling technique

Journal of computational chemistry, 1989-03, Vol.10 (2), p.176-185

Garmer, David R.

1989

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Quantum chemistry by random walk: application to the potential energy surface for F+H2→HF+H

The Journal of chemical physics, 1987-06, Vol.86 (12), p.7237-7239

1987

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ACCURATE QUANTUM CHEMICAL CALCULATIONS FOR SMALL MOLECULES VIA THE RANDOM WALK METHOD (FLUORINE; HYDROGEN-FLUORIDE; METHANE)

GARMER, DAVID ROBERT

1987

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Theoretical and Quantum Prediction of Toxic Effects

Drug metabolism reviews, 1984, Vol.15 (3), p.527-556

1984

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Prediction of toxicology and pharmacology based on model toxicophores and pharmacophores using the new TOX-MATCH-PHARM-MATCH program

International journal of quantum chemistry, 1983-03, Vol.24 (S10), p.375-415

1983

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Accuracy of MRI-Targeted in-Bore Prostate Biopsy According to the Gleason Score with Postprostatectomy Histopathologic Control—a Targeted Biopsy-Only Strategy with Limited Number of Cores

Academic radiology, 2015-11, Vol.22 (11), p.1409-1418

2015

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Adenocarcinoma of the bile ducts. Relationship of anatomic location to clinical features

American journal of digestive diseases, 1975-03, Vol.20 (3), p.253-261

1975

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An effective fragment method for modeling solvent effects in quantum mechanical calculations

A Comprehensive Energy Component Analysis of the Interaction of Hard and Soft Dications with Biological Ligands

Carbonic Anhydrase Reactivity, Mutation, and Inhibition Probed with a Model of ab Initio Quantum Chemistry within a Protein

Ab initio quantum chemical study of the cobalt d-d spectroscopy of several substituted zinc enzymes

Modeling of inhibitor-metalloenzyme interactions and selectivity using molecular mechanics grounded in quantum chemistry

Transferability of molecular distributed polarizabilities from a simple localized orbital based method

Comparative binding energetics of Mg2+, Ca2+, Zn2+, and Cd2+ to biologically relevant ligands: Combined ab initio SCF supermolecule and molecular mechanics investigation

Comparative binding energetics of Mg 2+ , Ca 2+ , Zn 2+ , and Cd 2+ to biologically relevant ligands: Combined ab initio SCF supermolecule and molecular mechanics investigation

MD Simulations of a 5-HT 2A Receptor Model in DOPC Membranes

MD Simulations of a 5-HT2A Receptor Model in DOPC Membranes

Extrapolation of the time-step bias in diffusion quantum Monte Carlo by a differential sampling technique

Quantum chemistry by random walk: application to the potential energy surface for F+H2→HF+H

ACCURATE QUANTUM CHEMICAL CALCULATIONS FOR SMALL MOLECULES VIA THE RANDOM WALK METHOD (FLUORINE; HYDROGEN-FLUORIDE; METHANE)

Theoretical and Quantum Prediction of Toxic Effects

Prediction of toxicology and pharmacology based on model toxicophores and pharmacophores using the new TOX-MATCH-PHARM-MATCH program

Accuracy of MRI-Targeted in-Bore Prostate Biopsy According to the Gleason Score with Postprostatectomy Histopathologic Control—a Targeted Biopsy-Only Strategy with Limited Number of Cores

Adenocarcinoma of the bile ducts. Relationship of anatomic location to clinical features

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