Theoretical Study of the Raman Optical Activity Spectra of 310-Helical Polypeptides

Identifying Protein β-Turns with Vibrational Raman Optical Activity

(2011) Thomas Weymuth et al.   CHEMPHYSCHEM

Analysis of the Cartesian Tensor Transfer Method for Calculating Vibrational Spectra of Polypeptides

(2011) Noah S. Bieler et al.   Journal of Chemical Theory and Computation

Explicit versus Implicit Solvent Modeling of Raman Optical Activity Spectra

(2011) Kathrin H. Hopmann et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Experimental and Theoretical Spectroscopic Study of 310-Helical Peptides Using Isotopic Labeling to Evaluate Vibrational Coupling

(2011) Ahmed Lakhani et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Calculation of Raman Optical Activity Spectra of Methyl-β-d-Glucose Incorporating a Full Molecular Dynamics Simulation of Hydration Effects

(2011) James R. Cheeseman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Vibrational optical activity

(2010) Laurence D. Barron et al.   CHEMICAL PHYSICS LETTERS

Understanding the Signatures of Secondary-Structure Elements in Proteins with Raman Optical Activity Spectroscopy

(2010) Christoph R. Jacob et al.   CHEMISTRY-A EUROPEAN JOURNAL

Analysis of Vibrational Raman Optical Activity Signatures of the (TG)Nand (GG)NConformations of Isotactic Polypropylene Chains in Terms of Localized Modes

(2010) Vincent Liégeois et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Local-Mode Model for Understanding the Dependence of the Extended Amide III Vibrations on Protein Secondary Structure

(2010) Thomas Weymuth et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The ab initio calculation of molecular electric, magnetic and geometric properties

(2010) Radovan Bast et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Coherent Multidimensional Vibrational Spectroscopy of Biomolecules: Concepts, Simulations, and Challenges

(2009) Wei Zhuang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical approaches to the calculation of Raman optical activity spectra

(2009) Kenneth Ruud et al.   CHIRALITY

Localizing normal modes in large molecules

(2009) Christoph R. Jacob et al.   JOURNAL OF CHEMICAL PHYSICS

Calculated Raman Optical Activity Spectra of 1,6-Anhydro-β-d-glucopyranose

(2009) Sandra Luber et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Analysis of Secondary Structure Effects on the IR and Raman Spectra of Polypeptides in Terms of Localized Vibrations

(2009) Christoph R. Jacob et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Theoretical Raman Optical Activity Study of the β Domain of Rat Metallothionein

(2009) Sandra Luber et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Couplings between Peptide Linkages across a 310-Helical Hydrogen Bond Revealed by Two-Dimensional Infrared Spectroscopy

(2009) Hiroaki Maekawa et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Amide I′−II′ 2D IR Spectroscopy Provides Enhanced Protein Secondary Structural Sensitivity

(2009) Lauren P. DeFlores et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Amide I Two-Dimensional Infrared Spectroscopy of Proteins

(2008) Ziad Ganim et al.   ACCOUNTS OF CHEMICAL RESEARCH

Raman optical activity spectra of chiral transition metal complexes

(2008) Sandra Luber et al.   CHEMICAL PHYSICS

Calculated Raman Optical Activity Signatures of Tryptophan Side Chains

(2008) Christoph R. Jacob et al.   CHEMPHYSCHEM

Exploring the structure and function paradigm

(2008) Oliver C. Redfern et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Kemp elimination catalysts by computational enzyme design

(2008) Daniela Röthlisberger et al.   NATURE

De Novo Computational Design of Retro-Aldol Enzymes

(2008) L. Jiang et al.   SCIENCE

Importance of backbone angles versus amino acid configurations in peptide vibrational Raman optical activity spectra

(2007) Carmen Herrmann et al.   CHEMICAL PHYSICS