Ramachandran mapping of peptide conformation using a large database of computed Raman and Raman optical activity spectra

Thermodynamic analysis of ANS binding to partially unfolded α-lactalbumin: correlation of endothermic to exothermic changeover with formation of authentic molten globules

(2016) Ki Hyung Kim et al.   JOURNAL OF MOLECULAR RECOGNITION

First-Principles Predictions of Vibrational Raman Optical Activity of Globular Proteins

(2015) Jiří Kessler et al.   Journal of Physical Chemistry Letters

Use of Raman and Raman optical activity for the structural characterization of a therapeutic monoclonal antibody formulation subjected to heat stress

(2015) Geetha Thiagarajan et al.   JOURNAL OF RAMAN SPECTROSCOPY

Pathological Unfoldomics of Uncontrolled Chaos: Intrinsically Disordered Proteins and Human Diseases

(2014) Vladimir N. Uversky et al.   CHEMICAL REVIEWS

Studying the Glycan Moiety of RNase B by Means of Raman and Raman Optical Activity

(2014) Carl Mensch et al.   CHEMPHYSCHEM

Solvated States of Poly-l-alanine α-Helix Explored by Raman Optical Activity

(2014) Shigeki Yamamoto et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Targeting the Intrinsically Disordered Structural Ensemble of α-Synuclein by Small Molecules as a Potential Therapeutic Strategy for Parkinson’s Disease

(2014) Gergely Tóth et al.   PLoS One

Polyproline-II Helix in Proteins: Structure and Function

(2013) Alexei A. Adzhubei et al.   JOURNAL OF MOLECULAR BIOLOGY

Similarity in Dissymmetry Factor Spectra: A Quantitative Measure of Comparison between Experimental and Predicted Vibrational Circular Dichroism

(2013) Cody L. Covington et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Solvent Effects in Calculated Vibrational Raman Optical Activity Spectra of α-Helices

(2013) Sandra Luber   JOURNAL OF PHYSICAL CHEMISTRY A

Ramachandran Plot for Alanine Dipeptide as Determined from Raman Optical Activity

(2013) Václav Parchaňský et al.   Journal of Physical Chemistry Letters

Raman spectroscopy of proteins: a review

(2013) A. Rygula et al.   JOURNAL OF RAMAN SPECTROSCOPY

PeptideBuilder: A simple Python library to generate model peptides

(2013) Matthew Z. Tien et al.   PeerJ

Structure and Vibrational Motion of Insulin from Raman Optical Activity Spectra

(2012) Shigeki Yamamoto et al.   ANALYTICAL CHEMISTRY

Implementation in the Pyvib2 program of the localized mode method and application to a helicene

(2012) Vincent Liégeois et al.   THEORETICAL CHEMISTRY ACCOUNTS

Glycan Structure of a High-Mannose Glycoprotein from Raman Optical Activity

(2011) Christian Johannessen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Confidence Level Algorithm for the Determination of Absolute Configuration Using Vibrational Circular Dichroism or Raman Optical Activity

(2011) Elke Debie et al.   CHEMPHYSCHEM

Constructing ensembles for intrinsically disordered proteins

(2011) Charles K Fisher et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

A New Route to Carbohydrate Secondary and Tertiary Structure Using Raman Spectroscopy and Raman Optical Activity

(2010) Nicola R. Yaffe et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Biopython: freely available Python tools for computational molecular biology and bioinformatics

(2009) P. J. A. Cock et al.   BIOINFORMATICS

Localizing normal modes in large molecules

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

The Human α-Lactalbumin Molten Globule: Comparison of Structural Preferences at pH 2 and pH 7

(2009) Heike I. Rösner et al.   JOURNAL OF MOLECULAR BIOLOGY

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

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

Characterizing Aqueous Solution Conformations of a Peptide Backbone Using Raman Optical Activity Computations

(2008) Parag Mukhopadhyay et al.   BIOPHYSICAL JOURNAL

Calculated Raman Optical Activity Signatures of Tryptophan Side Chains

(2008) Christoph R. Jacob et al.   CHEMPHYSCHEM

United we stand: combining structural methods

(2008) Nathan P Cowieson et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

A density matrix-based quasienergy formulation of the Kohn–Sham density functional response theory using perturbation- and time-dependent basis sets

(2008) Andreas J. Thorvaldsen et al.   JOURNAL OF CHEMICAL PHYSICS