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Nanometallic Glasses: Size Reduction Brings Ductility, Surface State Drives Its Extent

Nano letters, 2013-09, Vol.13 (9), p.4462-4468

2013

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Hildebrand and Hansen solubility parameters from Molecular Dynamics with applications to electronic nose polymer sensors

Journal of computational chemistry, 2004-11, Vol.25 (15), p.1814-1826

2004

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Computational modeling of structure-function of g protein-coupled receptors with applications for drug design

Current medicinal chemistry, 2010-04, Vol.17 (12), p.1167

2010

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Molecular Mechanisms Underlying Differential Odor Responses of a Mouse Olfactory Receptor

Proceedings of the National Academy of Sciences - PNAS, 2000-09, Vol.97 (20), p.10712-10716

2000

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Predicting Solid-State Heats of Formation of Newly Synthesized Polynitrogen Materials by Using Quantum Mechanical Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-11, Vol.112 (46), p.11914-11920

2008

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Stabilization of Coiled-Coil Peptide Domains by Introduction of Trifluoroleucine

Biochemistry (Easton), 2001-03, Vol.40 (9), p.2790-2796

2001

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SPECT [I-123]iomazenil measurement of the benzodiazepine receptor in panic disorder

Biological psychiatry (1969), 2000-01, Vol.47 (2), p.96-106

2000

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First principles prediction of protein folding rates

Journal of molecular biology, 1999-12, Vol.294 (3), p.619-625

1999

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Conformation and Proton Configuration of Pyrimidine Deoxynucleoside Oxidation Damage Products in Water

Chemical research in toxicology, 2000-06, Vol.13 (6), p.462-470

2000

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Substrate assistance in the mechanism of family 18 chitinases: theoretical studies of potential intermediates and inhibitors

Journal of molecular biology, 1998-07, Vol.280 (5), p.913-923

1998

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Chelators for Radioimmunotherapy: I. NMR and Ab Initio Calculation Studies on 1,4,7,10-Tetra(carboxyethyl)-1,4,7,10-tetraazacyclododecane (DO4Pr) and 1,4,7-Tris(carboxymethyl)-10-(carboxyethyl)-1,4,7,10-tetraazacyclododecane (DO3A1Pr)

Inorganic chemistry, 2001-08, Vol.40 (17), p.4310-4318

2001

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Molecular Dynamics Simulation of Amphiphilic Bistable [2]Rotaxane Langmuir Monolayers at the Air/Water Interface

Journal of the American Chemical Society, 2005-10, Vol.127 (42), p.14804-14816

2005

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Prediction of Structure and Function of G Protein-Coupled Receptors

Proceedings of the National Academy of Sciences - PNAS, 2002-10, Vol.99 (20), p.12622-12627

2002

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Effects of tryptophan depletion in panic disorder

Biological psychiatry (1969), 1994-12, Vol.36 (11), p.775-777

1994

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The Topomer-Sampling Model of Protein Folding

Proceedings of the National Academy of Sciences - PNAS, 1999-03, Vol.96 (6), p.2596-2601

1999

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Effects of pressure on the structure of metmyoglobin: Molecular dynamics predictions for pressure unfolding through a molten globule intermediate

Protein science, 1998-11, Vol.7 (11), p.2301-2313

1998

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Pretreatment patient factors predicting attrition from a multicenter randomized controlled treatment study for panic disorder

Comprehensive psychiatry, 1998-11, Vol.39 (6), p.323-332

1998

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Design Superiority of Palindromic DNA Sites for Site-Specific Recognition of Proteins: Tests Using Protein Stitchery

Proceedings of the National Academy of Sciences - PNAS, 1993-06, Vol.90 (11), p.4892-4896

1993

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The Pentamer Channel Stiffening Model for Drug Action on Human Rhinovirus HRV-1A

Proceedings of the National Academy of Sciences - PNAS, 1997-03, Vol.94 (6), p.2466-2471

1997

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Protein simulations using techniques suitable for very large systems: The cell multipole method for nonbond interactions and the Newton-Euler inverse mass operator method for internal coordinate dynamics

Proteins, structure, function, and bioinformatics, 1994-11, Vol.20 (3), p.227-247

1994

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Kinetic steps for α-helix formation

Proteins, structure, function, and bioinformatics, 1998-11, Vol.33 (3), p.343-357

1998

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Protein Stitchery: Design of a Protein for Selective Binding to a Specific DNA Sequence

Proceedings of the National Academy of Sciences - PNAS, 1992-10, Vol.89 (19), p.9094-9096

1992

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First Principles Predictions of the Structure and Function of G-Protein-Coupled Receptors: Validation for Bovine Rhodopsin

Biophysical journal, 2004-04, Vol.86 (4), p.1904-1921

2004

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Linkage genome scan for loci predisposing to panic disorder or agoraphobia

American journal of medical genetics, 2001-08, Vol.105 (6), p.548-557

2001

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De novo prediction of polypeptide conformations using dihedral probability grid Monte Carlo methodology

Protein science, 1995-06, Vol.4 (6), p.1203-1216

1995

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Nanometallic Glasses: Size Reduction Brings Ductility, Surface State Drives Its Extent

Hildebrand and Hansen solubility parameters from Molecular Dynamics with applications to electronic nose polymer sensors

Computational modeling of structure-function of g protein-coupled receptors with applications for drug design

Molecular Mechanisms Underlying Differential Odor Responses of a Mouse Olfactory Receptor

Predicting Solid-State Heats of Formation of Newly Synthesized Polynitrogen Materials by Using Quantum Mechanical Calculations

Stabilization of Coiled-Coil Peptide Domains by Introduction of Trifluoroleucine

SPECT [I-123]iomazenil measurement of the benzodiazepine receptor in panic disorder

First principles prediction of protein folding rates

Conformation and Proton Configuration of Pyrimidine Deoxynucleoside Oxidation Damage Products in Water

Substrate assistance in the mechanism of family 18 chitinases: theoretical studies of potential intermediates and inhibitors

Chelators for Radioimmunotherapy: I. NMR and Ab Initio Calculation Studies on 1,4,7,10-Tetra(carboxyethyl)-1,4,7,10-tetraazacyclododecane (DO4Pr) and 1,4,7-Tris(carboxymethyl)-10-(carboxyethyl)-1,4,7,10-tetraazacyclododecane (DO3A1Pr)

Molecular Dynamics Simulation of Amphiphilic Bistable [2]Rotaxane Langmuir Monolayers at the Air/Water Interface

Prediction of Structure and Function of G Protein-Coupled Receptors

Effects of tryptophan depletion in panic disorder

The Topomer-Sampling Model of Protein Folding

Effects of pressure on the structure of metmyoglobin: Molecular dynamics predictions for pressure unfolding through a molten globule intermediate

Pretreatment patient factors predicting attrition from a multicenter randomized controlled treatment study for panic disorder

Design Superiority of Palindromic DNA Sites for Site-Specific Recognition of Proteins: Tests Using Protein Stitchery

The Pentamer Channel Stiffening Model for Drug Action on Human Rhinovirus HRV-1A

Protein simulations using techniques suitable for very large systems: The cell multipole method for nonbond interactions and the Newton-Euler inverse mass operator method for internal coordinate dynamics

Kinetic steps for α-helix formation

Protein Stitchery: Design of a Protein for Selective Binding to a Specific DNA Sequence

First Principles Predictions of the Structure and Function of G-Protein-Coupled Receptors: Validation for Bovine Rhodopsin

Linkage genome scan for loci predisposing to panic disorder or agoraphobia

De novo prediction of polypeptide conformations using dihedral probability grid Monte Carlo methodology

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