Published in Biopolymers on January 01, 1971
Calorimetric determination of the enthalpy change for the alpha-helix to coil transition of an alanine peptide in water. Proc Natl Acad Sci U S A (1991) 2.84
The enthalpy of the alanine peptide helix measured by isothermal titration calorimetry using metal-binding to induce helix formation. Proc Natl Acad Sci U S A (2002) 1.47
Comparison of some dispersion-corrected and traditional functionals as applied to peptides and conformations of cyclohexane derivatives. J Chem Phys (2012) 0.94
Protected Graft Copolymer (PGC) in Imaging and Therapy: A Platform for the Delivery of Covalently and Non-Covalently Bound Drugs. Theranostics (2012) 0.88
Capping parallel β-sheets of acetyl(Ala)6NH2 with an acetyl(Ala)5ProNH2 can arrest the growth of the sheet, suggesting a potential for curtailing amyloid growth. An ONIOM and density functional theory study. Biochemistry (2014) 0.78
Study of poly-L-lysine conformations in aqueous methanol solution by using polarized Raman techniques. Biochem J (1976) 0.75
Prediction of the secondary structure of proteins from their amino acid sequence. Adv Enzymol Relat Areas Mol Biol (1978) 29.77
Empirical predictions of protein conformation. Annu Rev Biochem (1978) 25.48
Prediction of protein conformation. Biochemistry (1974) 20.51
Conformational parameters for amino acids in helical, beta-sheet, and random coil regions calculated from proteins. Biochemistry (1974) 12.07
Monte Carlo-minimization approach to the multiple-minima problem in protein folding. Proc Natl Acad Sci U S A (1987) 5.84
Accessible surface areas as a measure of the thermodynamic parameters of hydration of peptides. Proc Natl Acad Sci U S A (1987) 3.68
Conformation of analysis of macromolecules. IV. Helical structures of poly-L-alanine, poly-L-valine, poly-beta-methyl-L-aspartate, poly-gamma-methyl-L-glutamate, and poly-L-tyrosine. J Chem Phys (1967) 3.61
Medium- and long-range interaction parameters between amino acids for predicting three-dimensional structures of proteins. Macromolecules (1977) 3.53
Experimental and theoretical aspects of protein folding. Adv Protein Chem (1975) 3.51
Beta-turns in proteins. J Mol Biol (1977) 3.43
Minimization of polypeptide energy. I. Preliminary structures of bovine pancreatic ribonuclease S-peptide. Proc Natl Acad Sci U S A (1967) 3.26
Chain reversals in proteins. Biochim Biophys Acta (1973) 3.18
Prediction of beta-turns. Biophys J (1979) 2.71
Folding of polypeptide chains in proteins: a proposed mechanism for folding. Proc Natl Acad Sci U S A (1971) 2.68
Protein structure prediction by global optimization of a potential energy function. Proc Natl Acad Sci U S A (1999) 2.66
Conformational analysis of the 20 naturally occurring amino acid residues using ECEPP. Macromolecules (1977) 2.59
Assessment of some problems associated with prediction of the three-dimensional structure of a protein from its amino-acid sequence. Proc Natl Acad Sci U S A (1975) 2.49
Global optimization of clusters, crystals, and biomolecules. Science (1999) 2.33
Recent improvements in prediction of protein structure by global optimization of a potential energy function. Proc Natl Acad Sci U S A (2001) 2.31
Computation of the sterically allowed conformations of peptides. Biopolymers (1966) 2.27
Protein folding. Q Rev Biophys (1977) 2.21
Prediction of the native conformation of a polypeptide by a statistical-mechanical procedure. I. Backbone structure of enkephalin. Biopolymers (1985) 2.18
Status of empirical methods for the prediction of protein backbone topography. Biochemistry (1976) 2.12
The effect of neighboring charges on the helix forming ability of charged amino acids in proteins. Macromolecules (1976) 2.08
A proposal of standard conventions and nomenclature for the description of polypeptide conformations. J Mol Biol (1966) 2.05
Disulfide bonds and protein folding. Biochemistry (2000) 2.03
Conformational studies of poly-L-alanine in water. Biopolymers (1968) 2.02
Energy-based de novo protein folding by conformational space annealing and an off-lattice united-residue force field: application to the 10-55 fragment of staphylococcal protein A and to apo calbindin D9K. Proc Natl Acad Sci U S A (1999) 1.99
Influence of flexibility on the energy contours of dipeptide maps. Biopolymers (1966) 1.93
The influence of long-range interactions on the structure of myoglobin. Biochemistry (1968) 1.91
Calculation of protein backbone geometry from alpha-carbon coordinates based on peptide-group dipole alignment. Protein Sci (1993) 1.89
Physical reasons for the unusual alpha-helix stabilization afforded by charged or neutral polar residues in alanine-rich peptides. Proc Natl Acad Sci U S A (2000) 1.88
Assignment of the histidine peaks in the nuclear magnetic resonance spectrum of ribonuclease. Proc Natl Acad Sci U S A (1968) 1.83
A second right-handed helical structure with the parameters of the Pauling-Corey alpha-helix. Nature (1967) 1.81
Helix probability profiles of denatured proteins and their correlation with native structures. Proc Natl Acad Sci U S A (1970) 1.81
Minimization of polypeptide energy. II. Preliminary structures of oxytocin, vasopressin, and an octapeptide from ribonuclease. Proc Natl Acad Sci U S A (1967) 1.80
Empirical solvation models can be used to differentiate native from near-native conformations of bovine pancreatic trypsin inhibitor. Proteins (1991) 1.65
Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: assessment in two blind tests. Proc Natl Acad Sci U S A (2005) 1.65
A proposal of standard conventions and nomenclature for the description of polypeptide conformation. J Biol Chem (1966) 1.65
Prediction of protein conformation on the basis of a search for compact structures: test on avian pancreatic polypeptide. Protein Sci (1993) 1.64
On the multiple-minima problem in the conformational analysis of polypeptides. II. An electrostatically driven Monte Carlo method--tests on poly(L-alanine). Biopolymers (1988) 1.62
Recent progress in the theoretical treatment of protein folding. Biopolymers (1983) 1.58
Prediction of the conformation of the histones. Biophys J (1976) 1.54
An electron microscopic investigation of the polymerization of bovine fibrin monomer. J Mol Biol (1972) 1.52
Cooperative interactions in single-strand oligomers of adenylic acid. Biopolymers (1966) 1.48
Proline-induced constraints in alpha-helices. Biopolymers (1987) 1.47
Role of medium-range interactions in proteins. Proc Natl Acad Sci U S A (1973) 1.47
Influence of local interactions on protein structure. I. Conformational energy studies of N-acetyl-N'-methylamides of Pro-X and X-Pro dipeptides. Biopolymers (1977) 1.46
Low-energy structures of two dipeptides and their relationship to bend conformations. Macromolecules (1975) 1.45
Energetics of the structure of the four-alpha-helix bundle in proteins. Proc Natl Acad Sci U S A (1988) 1.44
Use of buildup and energy-minimization procedures to compute low-energy structures of the backbone of enkephalin. Biopolymers (1985) 1.43
Intramolecular forces and protein conformation. Discuss Faraday Soc (1965) 1.43
Use of a symmetry condition to compute the conformation of gramicidin S1. Macromolecules (1976) 1.41
Kinetics of competitive binding with application to thrombin complexes. Anal Biochem (1997) 1.41
Contribution of unusual arginine-arginine short-range interactions to stabilization and recognition in proteins. J Protein Chem (1994) 1.41
Computation of structures of homologous proteins. Alpha-lactalbumin from lysozyme. Biochemistry (1974) 1.41
The influence of short-range interactions on protein conformation. I. Side chain-backbone interactions within a single peptide unit. Proc Natl Acad Sci U S A (1968) 1.41
Initial attempts at a theoretical calculation of the conformation of gramicidin-S. Biochemistry (1966) 1.40
Coupling between folding and ionization equilibria: effects of pH on the conformational preferences of polypeptides. J Mol Biol (1996) 1.40
Occurrence of phosphorylated residues in predicted beta-turns: implications for beta-turn participation in control mechanisms. Biochem Biophys Res Commun (1977) 1.38
Calculation of protein conformation by global optimization of a potential energy function. Proteins (1999) 1.37
Calculation of the three-dimensional structure of the membrane-bound portion of melittin from its amino acid sequence. Proc Natl Acad Sci U S A (1982) 1.37
A third blind test of crystal structure prediction. Acta Crystallogr B (2005) 1.36
Conformational prediction and circular dichroism studies on the lac repressor. J Mol Biol (1975) 1.36
Theoretical and experimental studies of conformations of polypeptides. Chem Rev (1971) 1.35
The effect of D2-O on the thermal stability of proteins. Thermodynamic parameters for the transfer of model compounds from H2-O to D2-O. J Phys Chem (1965) 1.34
Solution of the embedding problem and decomposition of symmetric matrices. Proc Natl Acad Sci U S A (1985) 1.34
Predictions of structural homologies in cytochrome c proteins. Arch Biochem Biophys (1971) 1.32
Characterization of multiple bends in proteins. Biopolymers (1980) 1.32
Nuclear magnetic resonance spectrum of lysine-vasopressin and its structural implications. Proc Natl Acad Sci U S A (1971) 1.31
Local interactions in bends of proteins. Proc Natl Acad Sci U S A (1977) 1.30
Influence of water on protein structure. An analysis of the preferences of amino acid residues for the inside or outside and for specific conformations in a protein molecule. Macromolecules (1978) 1.29
Oxidative folding of proteins. Acc Chem Res (2000) 1.27
The intrinsic helix-forming tendency of L-alanine. Proc Natl Acad Sci U S A (1992) 1.26
Sensitive quantitative analysis of disulfide bonds in polypeptides and proteins. Anal Biochem (1984) 1.26
The conformation of glucagon: predictions and consequences. Biochemistry (1975) 1.24
Solution structure of murine epidermal growth factor: determination of the polypeptide backbone chain-fold by nuclear magnetic resonance and distance geometry. Proc Natl Acad Sci U S A (1987) 1.24
Structure of the interferon-receptor complex determined by distance constraints from double-mutant cycles and flexible docking. Proc Natl Acad Sci U S A (2001) 1.23
Energy parameters in polypeptides. V. An empirical hydrogen bond potential function based on molecular orbital calculations. J Phys Chem (1972) 1.22
On the multiple-minima problem in the conformational analysis of polypeptides. I. Backbone degrees of freedom for a perturbed alpha-helix. Biopolymers (1987) 1.22
Comparison of predicted and experimentally determined secondary structure of adenyl kinase. Nature (1974) 1.21
Structural and functional role of leucine residues in proteins. J Mol Biol (1973) 1.21
Designing potential energy functions for protein folding. Curr Opin Struct Biol (1999) 1.21
Disulfide bond dihedral angles from Raman spectroscopy. Proc Natl Acad Sci U S A (1973) 1.20
Distributions of intramolecular distances in the reduced and denatured states of bovine pancreatic ribonuclease A. Folding initiation structures in the C-terminal portions of the reduced protein. Biochemistry (2001) 1.20
Stability of polypeptide conformational states as determined by computer simulation of the free energy. Biopolymers (1987) 1.20
Molecular simulation study of cooperativity in hydrophobic association. Protein Sci (2000) 1.18
Conformational energy studies of beta-sheets of model silk fibroin peptides. I. Sheets of poly(Ala-Gly) chains. Biopolymers (1991) 1.18
The influence of short-range interactions on protein onformation. II. A model for predicting the alpha-helical regions of proteins. Proc Natl Acad Sci U S A (1969) 1.18
Conformational energy calculations on polypeptides and proteins: use of a statistical mechanical procedure for evaluating structure and properties. Ann N Y Acad Sci (1986) 1.17
Statistical and energetic analysis of side-chain conformations in oligopeptides. Int J Pept Protein Res (1983) 1.17
Prediction of the native conformation of a polypeptide by a statistical-mechanical procedure. III. Probable and average conformations of enkephalin. Biopolymers (1987) 1.17
Enkephalin: conformational analysis by means of empirical energy calculations. Proc Natl Acad Sci U S A (1977) 1.16
Phase transitions in one dimension and the helix-coil transition in polyamino acids. J Chem Phys (1966) 1.16
How optimization of potential functions affects protein folding. Proc Natl Acad Sci U S A (1996) 1.16
Model of protein folding: inclusion of short-, medium-, and long-range interactions. Proc Natl Acad Sci U S A (1975) 1.16
Influence of an extrinsic cross-link on the folding pathway of ribonuclease A. Conformational and thermodynamic analysis of cross-linked (lysine7-lysine41)-ribonuclease a. Biochemistry (1984) 1.16
Hypothesis about the mechanism of protein folding. Macromolecules (1977) 1.16
Correlation between the conformation of cytochrome c peptides and their stimulatory activity in a T-lymphocyte proliferation assay. Proc Natl Acad Sci U S A (1983) 1.15