AMBER: Assisted model building with energy refinement. A general program for modeling molecules and their interactions
about
Recognition of Z-RNA and Z-DNA Determinants by Polyamines in Solution: Experimental and Theoretical StudiesRe-refinement of the B-dodecamer d(CGCGAATTCGCG) with a comparative analysis of the solvent in it and in the Z-hexamer d(5BrCG5BrCG5BrCG)Determination of three-dimensional structures of proteins and nucleic acids in solution by nuclear magnetic resonance spectroscopyCharacterization of the Entamoeba histolytica ornithine decarboxylase-like enzymeA point mutation in the coding sequence of the beta-hexosaminidase alpha gene results in defective processing of the enzyme protein in an unusual GM2-gangliosidosis variantIdentifying stabilizing key residues in proteins using interresidue interaction energy matrix.Determining the invariant structure elements of the HIV-1 variable V3 loops: insight into the HIV-MN and HIV-Haiti isolates.Dead-end elimination with perturbations (DEEPer): a provable protein design algorithm with continuous sidechain and backbone flexibility.Molecular mechanics and dynamics of an abasic frameshift in DNA and comparison to NMR data.Structural analysis of the HIV-1 gp120 V3 loop: application to the HIV-Haiti isolates.Computational protocols for prediction of solute NMR relative chemical shifts. a case study of L-tryptophan in aqueous solution.Computational perspectives into plasmepsins structure-function relationship: implications to inhibitors design.EpiSweep: Computationally Driven Reengineering of Therapeutic Proteins to Reduce Immunogenicity While Maintaining Function.Exploiting the recognition code for elucidating the mechanism of zinc finger protein-DNA interactionsAn improved hydrogen bond potential: impact on medium resolution protein structures.Thermodynamic and structural features of cooperative interactions in tandem oligonucleotide derivatives arranged at the complementary template. Chemical modification data.Comparative modeling of proteins in the design of novel renin inhibitors.Protein dynamics and motions in relation to their functions: several case studies and the underlying mechanisms.Empirical hydrogen-bond potential functions--an old hat reconditioned.Theoretical and computational studies of dendrimers as delivery vectors.Grand challenges in quantum-classical modeling of molecule-surface interactions.Molecular dynamics simulations suggest that the Eco RI kink is an example of molecular strain.Two-dimensional 1H and 31P NMR spectra of a decamer oligodeoxyribonucleotide duplex and a quinoxaline ((MeCys3, MeCys7)(TANDEM) drug duplex complex.Conformations of duplex structures formed by oligodeoxynucleotides covalently linked to the intercalator 2-methoxy-6-chloro-9-aminoacridine.A molecular mechanics and dynamics study of alternate triple-helices involving the integrase-binding site of the HIV-1 virus and oligonucleotides having a 3'-3' internucleotide junction.Estimation of the protein-ligand interaction energy for model building and validation.Single-conformation infrared spectra of model peptides in the amide I and amide II regions: experiment-based determination of local mode frequencies and inter-mode coupling.Structural basis for the potential antitumour activity of DNA-interacting benzo[kl]xanthene lignans.Cell adhesion to polymeric surfaces: experimental study and simple theoretical approach.Molecular modelling of 9-aminoellipticine interactions with abasic oligonucleotides.Two-dimensional 1H and 31P NMR spectra and restrained molecular dynamics structure of an oligodeoxyribonucleotide duplex refined via a hybrid relaxation matrix procedure.The structures of bacteriorhodopsin with different retinal-Schiff base orientations--computer modeling and energy minimization studies.The structural and energetic aspects of substrate binding and the mechanism of action of the DapE-encoded N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) investigated using a hybrid QM/MM method.CATS (Coordinates of Atoms by Taylor Series): protein design with backbone flexibility in all locally feasible directions.Exact and effective pair-wise potential for protein-ligand interactions obtained from a semiempirical energy partition.A-DNA accommodates adducts derived from diol epoxides of polycyclic aromatic hydrocarbons bound in a "side-stacking" mode.Conformational and epitope mapping of herpes-simplex-virus type-1 thymidine kinase using synthetic peptide segments.New methodology for computer-aided modelling of biomolecular structure and dynamics. 1. Non-cyclic structures.Computational model of the HIV-1 subtype A V3 loop: study on the conformational mobility for structure-based anti-AIDS drug design.The effect of methylation of the 6 oxygen of guanine on the structure and stability of double helical DNA.
P2860
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P2860
AMBER: Assisted model building with energy refinement. A general program for modeling molecules and their interactions
description
1981 nî lūn-bûn
@nan
1981年の論文
@ja
1981年学术文章
@wuu
1981年学术文章
@zh
1981年学术文章
@zh-cn
1981年学术文章
@zh-hans
1981年学术文章
@zh-my
1981年学术文章
@zh-sg
1981年學術文章
@yue
1981年學術文章
@zh-hant
name
AMBER: Assisted model building ...... lecules and their interactions
@en
AMBER: Assisted model building ...... lecules and their interactions
@nl
type
label
AMBER: Assisted model building ...... lecules and their interactions
@en
AMBER: Assisted model building ...... lecules and their interactions
@nl
prefLabel
AMBER: Assisted model building ...... lecules and their interactions
@en
AMBER: Assisted model building ...... lecules and their interactions
@nl
P356
P1476
AMBER: Assisted model building ...... lecules and their interactions
@en
P2093
Paul K. Weiner
P304
P356
10.1002/JCC.540020311
P577
1981-01-01T00:00:00Z