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Infrared Spectroscopy and Theoretical Studies on Gas-Phase Protonated Leu-enkephalin and Its Fragments: Direct Experimental Evidence for the Mobile Proton

Journal of the American Chemical Society, 2007-05, Vol.129 (18), p.5887-5897

2007

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Sequence-Scrambling Fragmentation Pathways of Protonated Peptides

Journal of the American Chemical Society, 2008-12, Vol.130 (52), p.17774-17789

2008

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Proton-Driven Amide Bond-Cleavage Pathways of Gas-Phase Peptide Ions Lacking Mobile Protons

Journal of the American Chemical Society, 2009-10, Vol.131 (39), p.14057-14065

2009

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Key Role of Active-Site Water Molecules in Bacteriorhodopsin Proton-Transfer Reactions

The journal of physical chemistry. B, 2008-11, Vol.112 (47), p.14729-14741

2008

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Revising the Proton Affinity Scale of the Naturally Occurring α-Amino Acids

Journal of the American Society for Mass Spectrometry, 2006-09, Vol.17 (9), p.1275-1281

2006

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Using the miraEST assembler for reliable and automated mRNA transcript assembly and SNP detection in sequenced ESTs

Genome research, 2004-06, Vol.14 (6), p.1147-1159

2004

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Gas-Phase Structure and Fragmentation Pathways of Singly Protonated Peptides with N-Terminal Arginine

The journal of physical chemistry. B, 2010-11, Vol.114 (46), p.15092-15105

2010

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Towards Understanding the Tandem Mass Spectra of Protonated Oligopeptides. 2: The Proline Effect in Collision-Induced Dissociation of Protonated Ala-Ala-Xxx-Pro-Ala (Xxx = Ala, Ser, Leu, Val, Phe, and Trp)

Journal of the American Society for Mass Spectrometry, 2011-06, Vol.22 (6), p.1032-1039

2011

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Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment

The Journal of chemical physics, 2001-03, Vol.114 (12), p.5149-5155

2001

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Fragmentation pathways of protonated peptides

Mass spectrometry reviews, 2005-07, Vol.24 (4), p.508-548

2005

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Vibrational Spectroscopy and Conformational Structure of Protonated Polyalanine Peptides Isolated in the Gas Phase

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-05, Vol.112 (20), p.4608-4616

2008

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Atomistic simulations of complex materials: ground-state and excited-state properties

Journal of physics. Condensed matter, 2002-03, Vol.14 (11), p.3015-3047

2002

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Stepwise Solvation of an Amino Acid: The Appearance of Zwitterionic Structures

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-08, Vol.111 (31), p.7309-7316

2007

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Binding of Gold Clusters with DNA Base Pairs: A Density Functional Study of Neutral and Anionic GC−Au n and AT−Au n (n = 4, 8) Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-06, Vol.110 (24), p.7719-7727

2006

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Intercalators. 1. Nature of Stacking Interactions between Intercalators (Ethidium, Daunomycin, Ellipticine, and 4‘,6-Diaminide-2-phenylindole) and DNA Base Pairs. Ab Initio Quantum Chemical, Density Functional Theory, and Empirical Potential Study

Journal of the American Chemical Society, 2002-04, Vol.124 (13), p.3366-3376

2002

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Infrared Fingerprint Spectroscopy and Theoretical Studies of Potassium Ion Tagged Amino Acids and Peptides in the Gas Phase

Journal of the American Chemical Society, 2005-06, Vol.127 (23), p.8571-8579

2005

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Key Role of Electrostatic Interactions in Bacteriorhodopsin Proton Transfer

Journal of the American Chemical Society, 2004-11, Vol.126 (44), p.14668-14677

2004

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Long-Distance Proton Transfer with a Break in the Bacteriorhodopsin Active Site

Journal of the American Chemical Society, 2009-05, Vol.131 (20), p.7064-7078

2009

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Automatic detection of exonic splicing enhancers (ESEs) using SVMs

BMC bioinformatics, 2008-09, Vol.9 (1), p.369-369, Article 369

2008

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Ground-state properties of the retinal molecule: from quantum mechanical to classical mechanical computations of retinal proteins

Theoretical chemistry accounts, 2011-12, Vol.130 (4-6), p.1169-1183

2011

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On the effect of the BSSE on intermolecular potential energy surfaces. Comparison of a priori and a posteriori BSSE correction schemes

Journal of computational chemistry, 2001-05, Vol.22 (7), p.765-786

2001

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Mechanism of Primary Proton Transfer in Bacteriorhodopsin

Structure (London), 2004-07, Vol.12 (7), p.1281-1288

2004

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Suppression of the back proton-transfer from Asp85 to the retinal Schiff base in bacteriorhodopsin: A theoretical analysis of structural elements

Journal of structural biology, 2007-03, Vol.157 (3), p.454-469

2007

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Applying Support Vector Machines for Gene Ontology based gene function prediction

BMC bioinformatics, 2004-08, Vol.5 (1), p.116-116, Article 116

2004

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Theoretical Study of Aqueous N-Acetyl-l-alanine N‘-Methylamide: Structures and Raman, VCD, and ROA Spectra

The journal of physical chemistry. B, 1998-04, Vol.102 (14), p.2587-2602

1998

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Infrared Spectroscopy and Theoretical Studies on Gas-Phase Protonated Leu-enkephalin and Its Fragments: Direct Experimental Evidence for the Mobile Proton

Sequence-Scrambling Fragmentation Pathways of Protonated Peptides

Proton-Driven Amide Bond-Cleavage Pathways of Gas-Phase Peptide Ions Lacking Mobile Protons

Key Role of Active-Site Water Molecules in Bacteriorhodopsin Proton-Transfer Reactions

Revising the Proton Affinity Scale of the Naturally Occurring α-Amino Acids

Using the miraEST assembler for reliable and automated mRNA transcript assembly and SNP detection in sequenced ESTs

Gas-Phase Structure and Fragmentation Pathways of Singly Protonated Peptides with N-Terminal Arginine

Towards Understanding the Tandem Mass Spectra of Protonated Oligopeptides. 2: The Proline Effect in Collision-Induced Dissociation of Protonated Ala-Ala-Xxx-Pro-Ala (Xxx = Ala, Ser, Leu, Val, Phe, and Trp)

Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment

Fragmentation pathways of protonated peptides

Vibrational Spectroscopy and Conformational Structure of Protonated Polyalanine Peptides Isolated in the Gas Phase

Atomistic simulations of complex materials: ground-state and excited-state properties

Stepwise Solvation of an Amino Acid: The Appearance of Zwitterionic Structures

Binding of Gold Clusters with DNA Base Pairs: A Density Functional Study of Neutral and Anionic GC−Au n and AT−Au n (n = 4, 8) Complexes

Intercalators. 1. Nature of Stacking Interactions between Intercalators (Ethidium, Daunomycin, Ellipticine, and 4‘,6-Diaminide-2-phenylindole) and DNA Base Pairs. Ab Initio Quantum Chemical, Density Functional Theory, and Empirical Potential Study

Infrared Fingerprint Spectroscopy and Theoretical Studies of Potassium Ion Tagged Amino Acids and Peptides in the Gas Phase

Key Role of Electrostatic Interactions in Bacteriorhodopsin Proton Transfer

Long-Distance Proton Transfer with a Break in the Bacteriorhodopsin Active Site

Automatic detection of exonic splicing enhancers (ESEs) using SVMs

Ground-state properties of the retinal molecule: from quantum mechanical to classical mechanical computations of retinal proteins

On the effect of the BSSE on intermolecular potential energy surfaces. Comparison of a priori and a posteriori BSSE correction schemes

Mechanism of Primary Proton Transfer in Bacteriorhodopsin

Suppression of the back proton-transfer from Asp85 to the retinal Schiff base in bacteriorhodopsin: A theoretical analysis of structural elements

Applying Support Vector Machines for Gene Ontology based gene function prediction

Theoretical Study of Aqueous N-Acetyl-l-alanine N‘-Methylamide: Structures and Raman, VCD, and ROA Spectra

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