Molecular dynamics and continuum solvent studies of the stability of polyG-polyC and polyA-polyT DNA duplexes in solution.
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Statistical thermodynamics of hindered rotation from computer simulationsEstimation of the absolute internal-rotation entropy of molecules with two torsional degrees of freedom from stochastic simulationsThe physical determinants of the DNA conformational landscape: an analysis of the potential energy surface of single-strand dinucleotides in the conformational space of duplex DNACarbohydrate-protein recognition: molecular dynamics simulations and free energy analysis of oligosaccharide binding to concanavalin A.Molecular dynamics of DNA quadruplex molecules containing inosine, 6-thioguanine and 6-thiopurine.Sequence-dependent B<-->A transition in DNA evaluated with dimeric and trimeric scales.dMM-PBSA: A New HADDOCK Scoring Function for Protein-Peptide DockingSense-antisense (complementary) peptide interactions and the proteomic code; potential opportunities in biology and pharmaceutical science.Critical effects on binding of epidermal growth factor produced by amino acid substitutions.Molecular dynamics studies of the HIV-1 TAR and its complex with argininamide.Docking and free energy simulations to predict conformational domains involved in hCG-LH receptor interactions using recombinant antibodies.The energetics of the acetylation switch in p53-mediated transcriptional activation.Computational alanine scanning of the 1:1 human growth hormone-receptor complex.Molecular dynamics and binding specificity analysis of the bovine immunodeficiency virus BIV Tat-TAR complexCritical effect of the N2 amino group on structure, dynamics, and elasticity of DNA polypurine tracts.Simulating structural and thermodynamic properties of carcinogen-damaged DNA.Allosteric analysis of glucocorticoid receptor-DNA interface induced by cyclic Py-Im polyamide: a molecular dynamics simulation study.Atomic-level simulations of seeman DNA nanostructures: the paranemic crossover in salt solution.Relating repair susceptibility of carcinogen-damaged DNA with structural distortion and thermodynamic stabilityStereochemistry and position-dependent effects of carcinogens on TATA/TBP binding.Exploring PHD fingers and H3K4me0 interactions with molecular dynamics simulations and binding free energy calculations: AIRE-PHD1, a comparative study.Binding interactions between the core central domain of 16S rRNA and the ribosomal protein S15 determined by molecular dynamics simulations.Cooperative assembly of Co-Smad4 MH1 with R-Smad1/3 MH1 on DNA: a molecular dynamics simulation studyA molecular dynamics study and free energy analysis of complexes between the Mlc1p protein and two IQ motif peptidesMolecular Dynamics Simulation Studies of dTTP Binding and Catalysis Mediated by YhdE DimerizationInteraction of I50V mutant and I50L/A71V double mutant HIV-protease with inhibitor TMC114 (darunavir): molecular dynamics simulation and binding free energy studies.Investigations of the CLOCK and BMAL1 Proteins Binding to DNA: A Molecular Dynamics Simulation Study.Molecular dynamics and free-energy calculations applied to affinity maturation in antibody 48G7.Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential.Binding of small-molecule ligands to proteins: "what you see" is not always "what you get".Molecular dynamics simulations and coupled nucleotide substitution experiments indicate the nature of A{middle dot}A base pairing and a putative structure of the coralyne-induced homo-adenine duplex.Interaction of classical platinum agents with the monomeric and dimeric Atox1 proteins: a molecular dynamics simulation study.Molecular modeling of nucleic Acid structure: setup and analysis.The base sequence dependent flexibility of linear single-stranded oligoribonucleotides correlates with the reactivity of the phosphodiester bond.Mediation of the A/B-DNA helix transition by G-tracts in the crystal structure of duplex CATGGGCCCATG.Advances in RNA molecular dynamics: a simulator's guide to RNA force fields.Local conformational variations observed in B-DNA crystals do not improve base stacking: computational analysis of base stacking in a d(CATGGGCCCATG)(2) B<-->A intermediate crystal structure.The B- to A-DNA transition and the reorganization of solvent at the DNA surface.Molecular dynamics simulation of the allosteric regulation of eIF4A protein from the open to closed state, induced by ATP and RNA substratesMolecular dynamics and free energy analysis of neuraminidase-ligand interactions.
P2860
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P2860
Molecular dynamics and continuum solvent studies of the stability of polyG-polyC and polyA-polyT DNA duplexes in solution.
description
1998 nî lūn-bûn
@nan
1998年の論文
@ja
1998年学术文章
@wuu
1998年学术文章
@zh
1998年学术文章
@zh-cn
1998年学术文章
@zh-hans
1998年学术文章
@zh-my
1998年学术文章
@zh-sg
1998年學術文章
@yue
1998年學術文章
@zh-hant
name
Molecular dynamics and continu ...... olyT DNA duplexes in solution.
@en
Molecular dynamics and continu ...... olyT DNA duplexes in solution.
@nl
type
label
Molecular dynamics and continu ...... olyT DNA duplexes in solution.
@en
Molecular dynamics and continu ...... olyT DNA duplexes in solution.
@nl
prefLabel
Molecular dynamics and continu ...... olyT DNA duplexes in solution.
@en
Molecular dynamics and continu ...... olyT DNA duplexes in solution.
@nl
P2093
P2860
P1476
Molecular dynamics and continu ...... olyT DNA duplexes in solution.
@en
P2093
Cheatham TE 3rd
Kollman PA
Srinivasan J
P2860
P304
P356
10.1080/07391102.1998.10508245
P577
1998-10-01T00:00:00Z