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Principal components analysis of protein structure ensembles calculated using NMR data
JOURNAL OF BIOMOLECULAR NMR
Revisiting the structural flexibility of the complex p21(ras)-GTP: The catalytic conformation of the molecular switch II
PROTEINS-STRUCTURE FUNCTION AND GENETICS
Bias-free separation of internal and overall motion of biomolecules
PROTEINS-STRUCTURE FUNCTION AND GENETICS
Molecular dynamics simulation and essential dynamics study of mutated plastocyanin: structural, dynamical and functional effects of a disulfide bridge insertion at the protein surface
BIOPHYSICAL CHEMISTRY
Concerted motions in copper plastocyanin and azurin: an essential dynamicsstudy
BIOPHYSICAL CHEMISTRY
Molecular dynamics simulations of urea and thermal-induced denaturation ofS-peptide analogue
BIOPHYSICAL CHEMISTRY
Functional and structural roles of the glutathione-binding residues in maize (Zea mays) glutathione S-transferase I
BIOCHEMICAL JOURNAL
Domain movement in the epidermal growth factor family of peptides
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Investigation of the mechanism of domain closure in citrate synthase by molecular dynamics simulation
JOURNAL OF MOLECULAR BIOLOGY
Computer simulation of the rough lipopolysaccharide membrane of Pseudomonas aeruginosa
BIOPHYSICAL JOURNAL
Conformational substates in different crystal forms of the photoactive yellow protein - Correlation with theoretical and experimental flexibility
PROTEIN SCIENCE
Efficient sampling in collective coordinate space
PROTEINS-STRUCTURE FUNCTION AND GENETICS
Identification of almost invariant aggregates in reversible nearly uncoupled Markov chains
LINEAR ALGEBRA AND ITS APPLICATIONS
Similarities in the HIV-1 and ASV integrase active sites upon metal cofactor binding
BIOPOLYMERS
Essential motions and energetic contributions of individual residues in a peptide bound to an SH3 domain
BIOPHYSICAL JOURNAL
Crystal structure of carboxypeptidase A complexed with D-cysteine at 1.75 angstrom - Inhibitor-induced conformational changes
BIOCHEMISTRY
A molecular dynamics study of the 41-56 beta-hairpin from B1 domain of protein G
PROTEIN SCIENCE
Assignment of side-chain conformation using adiabatic energy mapping, freeenergy perturbation, and molecular dynamic simulations
PROTEIN SCIENCE
Functional concerted motions in the bovine serum retinol-binding protein
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Essential dynamics/factor analysis for the interpretation of molecular dynamics trajectories
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Computer simulations of the dynamics of human choriogonadotropin and its alpha subunit
PROTEINS-STRUCTURE FUNCTION AND GENETICS
Molecular dynamics simulations of human glutathione transferase P1-1: Conformational fluctuations of the apo-structure
PROTEINS-STRUCTURE FUNCTION AND GENETICS
On the convergence of the conformational coordinates basis set obtained bythe essential dynamics analysis of proteins' molecular dynamics simulations
PROTEINS-STRUCTURE FUNCTION AND GENETICS
A kinetic model for the internal motions of proteins: Diffusion between multiple harmonic wells
PROTEINS-STRUCTURE FUNCTION AND GENETICS
Computational analysis of chain flexibility and fluctuations in Rhizomucormiehei lipase
PROTEIN ENGINEERING
Functionally important correlated motions in the single-stranded DNA binding protein encoded by filamentous phage Pf3
JOURNAL OF MOLECULAR BIOLOGY
Conformational changes in the chaperonin GroEL: New insights into the allosteric mechanism
JOURNAL OF MOLECULAR BIOLOGY
IDENTIFICATION OF FUNCTIONAL AND UNFOLDING MOTIONS OF CUTINASE AS OBTAINED FROM MOLECULAR-DYNAMICS COMPUTER-SIMULATIONS
Proteins
ESSENTIAL SPACES DEFINED BY NMR STRUCTURE ENSEMBLES AND MOLECULAR-DYNAMICS SIMULATION SHOW SIGNIFICANT OVERLAP
Proteins
DOMAIN MOTIONS IN BACTERIOPHAGE-T4 LYSOZYME - A COMPARISON BETWEEN MOLECULAR-DYNAMICS AND CRYSTALLOGRAPHIC DATA
Proteins
CONCERTED MOTIONS IN THE PHOTOACTIVE YELLOW PROTEIN
Protein engineering (Print)
ARE THERE NONTRIVIAL DYNAMIC CROSS-CORRELATIONS IN PROTEINS
Journal of Molecular Biology
PROBING CATALYTIC HINGE BENDING MOTIONS IN THERMOLYSIN-LIKE PROTEASESBY GLYCINE-]ALANINE MUTATIONS
Biochemistry
PREDICTION OF PROTEIN CONFORMATIONAL FREEDOM FROM DISTANCE CONSTRAINTS
Proteins
MODEL-FREE METHODS OF ANALYZING DOMAIN MOTIONS IN PROTEINS FROM SIMULATION - A COMPARISON OF NORMAL-MODE ANALYSIS AND MOLECULAR-DYNAMICS SIMULATION OF LYSOZYME
Proteins
COMPARISON OF RAS-P21 BOUND TO GDP AND GTP - DIFFERENCES IN PROTEIN AND LIGAND DYNAMICS
Protein engineering
ENGINEERING PROTEIN MECHANICS - INHIBITION OF CONCERTED MOTIONS OF THE CELLULAR RETINOL-BINDING PROTEIN BY SITE-DIRECTED MUTAGENESIS
Protein engineering
BENDING OF THE CALMODULIN CENTRAL HELIX - A THEORETICAL-STUDY
Protein science
AN EXTENDED SAMPLING OF THE CONFIGURATIONAL SPACE OF HPR FROM ESCHERICHIA-COLI
Proteins
STRUCTURE FROM NMR AND MOLECULAR-DYNAMICS - DISTANCE RESTRAINING INHIBITS MOTION IN THE ESSENTIAL SUBSPACE
Journal of biomolecular NMR
ESSENTIAL DYNAMICS OF THE CELLULAR RETINOL-BINDING PROTEIN - EVIDENCEFOR LIGAND-INDUCED CONFORMATIONAL-CHANGES
Protein engineering