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List of works by Samuel Krimm

A comparative study of molecular dynamics in Cartesian and in internal coordinates: dynamical instability in the latter caused by nonlinearity of the equations of motion

scientific article published in April 2007

A theoretical estimate of the energy barriers between stable conformations of the proline dimer

scientific article published on 01 June 1975

Ab initio vibrational analysis of hydrogen-bonded trans- and cis-N-methylacetamide

article

An infrared study of unordered poly‐L‐proline in CaCL2 solutions ⬇️

scientific article published on 01 January 1971

Antiparallelism of Chains in Polyglycine II ⬇️

scientific article published on November 25, 2010

Biochemical profiles of membranes from x-ray and neutron diffraction

scientific article

Circular dichroism of poly-L-proline in an unordered conformation ⬇️

scientific article published on 01 January 1968

Conformation dependence of the C(alpha)D(alpha) stretch mode in peptides. II. explicitly hydrated alanine peptide structures.

scientific article published in September 2009

Conformation dependence of the CalphaDalpha stretch mode in peptides. 1. Isolated alanine peptide structures

scientific article published on 27 May 2007

Conformation dependence of the CαDα stretch mode in peptides: Side‐chain influence in dipeptide structures ⬇️

scientific article published on December 1, 2010

Conformations of cyclo(L-alanyl-L-alanyl-epsilon-aminocaproyl) and of cyclo(L-alanyl-D-alanyl-epsilon-aminocaproyl); cyclized dipeptide models for specific types of beta-bends.

scientific article published on February 1982

Conformations of polypeptides with ionized side chains of equal length

scientific article

Conformers of cis-N-methylacetamide

Effwct of temperature on the circular dichroism spectra of polypeptides in the extended state ⬇️

scientific article published on 01 January 1972

Elastic Moduli of Helical Polypeptide Chain Structures

scientific article

Free-Energy Calculations of the Interactions of Helical Poly(L-Proline) with Water ⬇️

scientific article published on October 1, 1971

Group Polarizability Model for Molecular Mechanics Energy Functions

scientific article published on 01 November 2007

Hydrogen bonding of C - h * * * o = C in proteins

scientific article published in October 1967

Hydrogen sulfide concentration in the milieu of the hydrated alanine dipeptide determines its polyproline II-beta propensity: Main chain contribution to the energetic origin of the formation of amyloid

scientific article published on 07 May 2020

Infrared Spectrum of the Purple Membrane: Clue to a Proton Conduction Mechanism? ⬇️

scientific article published on April 23, 1982

Infrared amide I' band of the coiled coil

scientific article published on 01 February 1996

Infrared dichroism of amide I and amide II modes of alpha I- and alpha II-helix segments in membrane proteins ⬇️

scientific article published on July 1, 1995

Infrared spectra and chain conformation of proteins

scientific article published on 01 June 1962

Intermolecular Interaction Effects in the Amide I Vibrations of β Polypeptides ⬇️

scientific article published on October 1, 1972

Irreducible representation and projection operator application to understanding nonlinear optical phenomena: hyper-Raman, sum frequency generation, and four-wave mixing spectroscopy

scientific article published in June 2006

Limitations of the molecular multipole expansion treatment of electrostatic interactions for C-H...O and O-H...O hydrogen bonds and application of a general charge density approach

scientific article published in June 2005

Low temperature infrared spectra of polyglycines and C--H...O==C hydrogen bonding in polyglycine II.

scientific article published in January 1968

Macromolecular structure and organization of alpha keratin ⬇️

scientific article published on January 1, 1974

Milieu-Initiated Inversion of the Aqueous Polyproline II/β Propensity in the Alanine Tripeptide: Aggregation Origin of the Onset of Amyloid Formation

scientific article published on 17 April 2018

Molecular quantum mechanics to biodynamics: Essential connections

scholarly article by Michael E. Colvin et al published May 2006 in Computational and Theoretical Chemistry

New chain conformations of poly(glutamic acid) and polylysine ⬇️

scientific article published on 01 January 1968

Normal vibrations of crystalline polyglycine I ⬇️

scientific article published on 01 January 1972

Normal vibrations of polyglycine II ⬇️

scientific article published on 01 January 1972

Normal vibrations of proteins: glucagon

scientific article published in March 1982

Normal-mode analysis of infrared and Raman spectra of crystalline isotactic poly(methyl methacrylate)

Note: charge transfer in a hydrated peptide group is determined mainly by its intrinsic hydrogen-bond energetics

scientific article published on 01 January 2014

Other Species in the Aqueous Environment of a Peptide Can Invert its Intrinsic Solvated Polyproline II/Beta Propensity: Implications for Amyloid Formation

scientific article published on 2 February 2016

Peptide C(alpha)D(alpha) stretch frequencies in a hydrated conformation are perturbed mainly by C(alpha)-D(alpha)...O hydrogen bonding

scientific article published in December 2008

Phase determination of x-ray reflections for membrane-type systems with constant fluid density ⬇️

scientific article published on May 1, 1976

Potential energy functions: from consistent force fields to spectroscopically determined polarizable force fields

scientific article

Raman and normal-mode studies of the extended-helix conformation in polypeptide chains

scientific article published on 01 January 1987

STUDIES ON THE STRUCTURE OF FEATHER KERATIN. IV. SOLUBILIZATION EFFECTS OF MERCURIC SALTS

scientific article published on 01 November 1964

Spectroscopically determined force field for water dimer: physically enhanced treatment of hydrogen bonding in molecular mechanics energy functions

scientific article published on 01 December 2008

Stereochemical criteria for polypeptide and protein chain conformations. 3. Helical and hydrogen-bonded polypeptide chains

scientific article

Structure of Alpha-Keratin

scientific article published in Nature

Structure of normal and contracted tail sheaths of T4 bacteriophage

scientific article published on 01 July 1967

Studies on the Structure of Feather Keratin: I. X-Ray Diffraction Studies and Other Experimental Data

scientific article

Studies on the Structure of Feather Keratin: II. A beta-Helix Model for the Structure of Feather Keratin

scientific article

Studies on the structure of feather keratin. III. Optical rotatory dispersion of soluble feather keratin

scientific article published on 01 April 1962

The calculated circular dichroism of polyproline II in the polarizability approximation

scientific article published on 01 January 1974

The structure of crystalline and membrane-bound gramicidin A by vibrational analysis

scientific article published on 01 December 1984

Theoretical analysis of pyrrolidine ring puckering and the conformational energies of proline and 5-methylproline dimers

scientific article published in March 1974

Theoretical calculation of the circular dichroism of unordered polypeptide chains ⬇️

scientific article published on January 1, 1972

Transition dipole coupling in Amide I modes of betapolypeptides

scientific article published on December 1975

Understanding normal modes of proteins

scientific article

Vibrational analysis of conformation in peptides, polypeptides, and proteins

scientific article published on 01 January 1983

Vibrational analysis of crystalline tri-L-alanine

scientific article

Vibrational analysis of glutathione

scientific article published on 01 October 1994

Vibrational analysis of peptides, polypeptides and proteins. XXVII. Structure of gramicidin S from normal mode analyses of low-energy conformations

scientific article published on 01 December 1984

Vibrational analysis of peptides, polypeptides, and proteins. 3. alpha-Poly(L-alanine)

scientific article published on 01 September 1977

Vibrational analysis of peptides, polypeptides, and proteins. I. Polyglycine I

scientific article published on December 1, 1976

Vibrational analysis of peptides, polypeptides, and proteins. II. beta-poly(L-alanine) and beta-poly(L-anaylglycine)

scientific article published on December 1, 1976

Vibrational analysis of peptides, polypeptides, and proteins. V. Normal vibrations of beta-turns

scientific article published on 01 January 1980

Vibrational analysis of peptides, polypeptides, and proteins. VI. Assignment of beta-turn modes in insulin and other proteins

scientific article published on 01 January 1980

Vibrational analysis of peptides, polypeptides, and proteins. XVII. Normal modes of crystalline Pro-Leu-Gly-NH2, a type II beta-turn

scientific article published on 01 January 1984

Vibrational analysis of peptides, polypeptides, and proteins. XVIII. Conformational sensitivity of the alpha-helix spectrum: alpha I- and alpha II-poly(L-alanine)

scientific article published on 01 May 1984

Vibrational analysis of peptides, polypeptides, and proteins. XXX. Normal mode analyses of gamma-turns

Vibrational analysis of peptides, polypeptides, and proteins. XXXII. alpha-Poly(L-glutamic acid).

scientific article

Vibrational analysis of peptides, polypeptides, and proteins: Characteristic amide bands of beta-turns

scientific article published on February 1979

Vibrational analysis of the structure of crystalline gramicidin a.

scientific article published on January 1984

Vibrational analysis of the structure of gramicidin A. I. Normal mode analysis

scientific article

Vibrational analysis of the structure of gramicidin A. II. Vibrational spectra

scientific article

Vibrational spectroscopy and conformation of peptides, polypeptides, and proteins

scientific article

Vibrational spectrum of the unordered polypeptide chain: a Raman study of feather keratin

scientific article

Vibrational studies of the disulfide group in proteins. Part V. Correlation of SS stretch frequencies with the CCSS dihedral angle in known protein disulfide bridges ⬇️

scientific article published on 01 April 1992

Vibrational studies of the disulfide group in proteins. VI. General correlations of SS and CS stretch frequencies with disulfide bridge geometry

scientific article published on 01 August 1992

WIGGLE: A new constrained molecular dynamics algorithm in Cartesian coordinates

article by Sang-Ho Lee et al published November 2005 in Journal of Computational Physics

Water interaction differences determine the relative energetic stability of the polyproline II conformation of the alanine dipeptide in aqueous environments ⬇️

scientific article published on 01 October 2012

X-ray and neutron scattering density profiles of the intact human red blood cell membrane

scientific article

X-ray diffraction studies of human erythrocyte membrane structure ⬇️

scientific article published on February 1, 1975

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