相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Structural basis for stabilization of human telomeric G-quadruplex [d-(TTAGGGT)]4 by anticancer drug adriamycin
Ritu Barthwal et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
Insights into G-Quadruplex-Hemin Dynamics Using Atomistic Simulations: Implications for Reactivity and Folding
Petr Stadlbauer et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)
Unprecedented hour-long residence time of a cation in a left-handed G-quadruplex
Fernaldo Richtia Winnerdy et al.
CHEMICAL SCIENCE (2021)
Stiff-Stilbene Ligands Target G-Quadruplex DNA and Exhibit Selective Anticancer and Antiparasitic Activity
Michael P. O'Hagan et al.
CHEMISTRY-A EUROPEAN JOURNAL (2020)
Evaluation of an Analogue of the Marine ε-PLL Peptide as a Ligand of G-quadruplex DNA Structures
Maria Marzano et al.
MARINE DRUGS (2020)
Synthesis of naphthalimide derivatives with potential anticancer activity, their comparative ds- and G-quadruplex-DNA binding studies and related biological activities
Ufuk Yildiz et al.
MOLECULAR BIOLOGY REPORTS (2020)
Spectroscopic and SEM evidences for G4-DNA binding by a synthetic alkyne-containing amino acid with anticancer activity
Marta A. Fik-Jaskolka et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2020)
Biological macromolecule binding and anticancer activity of synthetic alkyne-containing l-phenylalanine derivatives
Marta A. Fik-Jaskolka et al.
AMINO ACIDS (2020)
Synthesis and nucleic acid binding evaluation of a thyminyl L -diaminobutanoic acid -based nucleopeptide
Domenica Musumeci et al.
BIOORGANIC CHEMISTRY (2020)
Molecular Dynamics Study on the Binding of an Anticancer DNA G-Quadruplex Stabilizer, CX-5461, to Human Telomeric, c-KIT1, and c-Myc G-Quadruplexes and a DNA Duplex
Holli-Joi Sullivan et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
Evaluating the biological properties of synthetic 4-nitrophenyl functionalized benzofuran derivatives with telomeric DNA binding and antiproliferative activities
Antonio Carella et al.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2019)
Binding of BRACO19 to a Telomeric G-Quadruplex DNA Probed by All-Atom Molecular Dynamics Simulations with Explicit Solvent
Babitha Machireddy et al.
MOLECULES (2019)
c-MYC G-quadruplex binding by the RNA polymerase I inhibitor BMH-21 and analogues revealed by a combined NMR and biochemical Approach
Loana Musso et al.
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS (2018)
Naphthalene diimide-derivatives G-quadruplex ligands induce cell proliferation inhibition, mild telomeric dysfunction and cell cycle perturbation in U251MG glioma cells
Daniela Muoio et al.
FEBS JOURNAL (2018)
New insights into the mechanism of action of pyrazolo[1,2-a]benzo[1,2,3,4]tetrazin-3-one derivatives endowed with anticancer potential
Antonino Lauria et al.
CHEMICAL BIOLOGY & DRUG DESIGN (2018)
Binding of Telomestatin, TMPyP4, BSU6037, and BRACO19 to a Telomeric G-Quadruplex-Duplex Hybrid Probed by All-Atom Molecular Dynamics Simulations with Explicit Solvent
Holli-Joi Sullivan et al.
ACS OMEGA (2018)
Circular Dichroism of G-Quadruplex: a Laboratory Experiment for the Study of Topology and Ligand Binding
Josue Carvalho et al.
JOURNAL OF CHEMICAL EDUCATION (2017)
Probing the Binding Pathway of BRACO19 to a Parallel-Stranded Human Telomeric G-Quadruplex Using Molecular Dynamics Binding Simulation with AMBER DNA OL15 and Ligand GAFF2 Force Fields
Babitha Machireddy et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2017)
Effect of Monovalent Ion Parameters on Molecular Dynamics Simulations of G-Quadruplexes
Marek Havrila et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Binding modes and pathway of RHPS4 to human telomeric G-quadruplex and duplex DNA probed by all-atom molecular dynamics simulations with explicit solvent
Kelly Mulholland et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Antitumour activity of resveratrol on human melanoma cells: A possible mechanism related to its interaction with malignant cell telomerase
Chiara Platella et al.
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS (2017)
Folding of guanine quadruplex molecules-funnel-like mechanism or kinetic partitioning? An overview from MD simulation studies
Jiri Sponer et al.
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS (2017)
Identification of G-quadruplex DNA/RNA binders: Structure-based virtual screening and biophysical characterization
Roberta Rocca et al.
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS (2017)
Coarse-Grained Simulation of Rodlike Higher-Order Quadruplex Structures at Different Salt Concentrations
Matus Rebic et al.
ACS OMEGA (2017)
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
Edward Harder et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Base sequence specificity of counterion binding to DNA: what can MD simulations tell us?
Alessio Atzori et al.
CANADIAN JOURNAL OF CHEMISTRY (2016)
Assessing the Current State of Amber Force Field Modifications for DNA
Rodrigo Galindo-Murillo et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Molecular Dynamics Simulation Study of Parallel Telomeric DNA Quadruplexes at Different Ionic Strengths: Evaluation of Water and Ion Models
Matus Rebic et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2016)
Quinazoline derivative QPB-15e stabilizes the c-myc promoter G-quadruplex and inhibits tumor growth in vivo
Zeng Li et al.
ONCOTARGET (2016)
Refinement of the Sugar-Phosphate Backbone Torsion Beta for AMBER Force Fields Improves the Description of Z- and B-DNA
Marie Zgarbova et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
All-Atomic Simulations on Human Telomeric G-Quadruplex DNA Binding with Thioflavin T
Di Luo et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2015)
Glucose oxidase from Penicillium amagasakiense: Characterization of the transition state of its denaturation from molecular dynamics simulations
Guido Todde et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2014)
Exploring the anticancer potential of pyrazolo[1,2-a]benzo[1,2,3,4] tetrazin-3-one derivatives: The effect on apoptosis induction, cell cycle and proliferation
Francesco Mingoia et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2013)
Toward Improved Description of DNA Backbone: Revisiting Epsilon and Zeta Torsion Force Field Parameters
Marie Zgarbova et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data
Daniel R. Roe et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Identification and Characterization of New DNA G-Quadruplex Binders Selected by a Combination of Ligand and Structure-Based Virtual Screening Approaches
Stefano Alcaro et al.
JOURNAL OF MEDICINAL CHEMISTRY (2013)
An overview of the Amber biomolecular simulation package
Romelia Salomon-Ferrer et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2013)
Reference Simulations of Noncanonical Nucleic Acids with Different χ Variants of the AMBER Force Field: Quadruplex DNA, Quadruplex RNA, and Z-DNA
Miroslav Krepl et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Insight into nucleic acid counterion interactions from inside molecular dynamics simulations is worth its salt
Francesca Mocci et al.
SOFT MATTER (2012)
Targeting G-quadruplexes in gene promoters: a novel anticancer strategy?
Shankar Balasubramanian et al.
NATURE REVIEWS DRUG DISCOVERY (2011)
A non-empirical chromophoric interpretation of CD spectra of DNA G-quadruplex structures
Stefano Masiero et al.
ORGANIC & BIOMOLECULAR CHEMISTRY (2010)
Molecular Dynamics Simulations of the Dynamic and Energetic Properties of Alkali and Halide Ions Using Water-Model-Specific Ion Parameters
In Suk Joung et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Competitive binding exchange between alkali metal ions (K+, Rb+, and Cs+) and Na+ ions bound to the dimeric quadruplex [d(G4T4G4)]2: a 23Na and 1H NMR study
Flaminia Cesare Marincola et al.
MAGNETIC RESONANCE IN CHEMISTRY (2009)
Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations
In Suk Joung et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Effect of O6-methylguanine on the stability of G-quadruplex
Chongkham S. Mekmaysy et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Refinenement of the AMBER force field for nucleic acids:: Improving the description of α/γ conformers
Alberto Perez et al.
BIOPHYSICAL JOURNAL (2007)
Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes
Richard A. Friesner et al.
JOURNAL OF MEDICINAL CHEMISTRY (2006)
Automatic atom type and bond type perception in molecular mechanical calculations
Junmei Wang et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2006)
The Amber biomolecular simulation programs
DA Case et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Direct NMR detection of the invisible alkali metal cations tightly bound to G-quadruplex structures
A Wong et al.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2005)
Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach
AE Cho et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
1-Methyl-3H-pyrazolo[1,2-a]benzo[1,2,3,4]tetrazin-3-ones.: Design, synthesis, and biological activity of new antitumor agents
AM Almerico et al.
JOURNAL OF MEDICINAL CHEMISTRY (2005)
Solution structure of the biologically relevant g-quadruplex element in the human c-MYC promoter. implications for g-quadruplex stabilization
A Ambrus et al.
BIOCHEMISTRY (2005)
A hierarchical approach to all-atom protein loop prediction
MP Jacobson et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2004)
Glide: A new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy
RA Friesner et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
Glide: A new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening
TA Halgren et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
Development and testing of a general amber force field
JM Wang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Molecular dynamics investigation of 23Na NMR relaxation in oligomeric DNA aqueous solution
F Mocci et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Increasing temperature accelerates protein unfolding without changing the pathway of unfolding
R Day et al.
JOURNAL OF MOLECULAR BIOLOGY (2002)
Direct evidence for a G-quadruplex in a promoter region and its targeting with a small molecule to repress c-MYC transcription
A Siddiqui-Jain et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2002)
On the role of the crystal environment in determining protein side-chain conformations
MP Jacobson et al.
JOURNAL OF MOLECULAR BIOLOGY (2002)
G-quadruplex DNA: a potential target for anti-cancer drug design
HY Han et al.
TRENDS IN PHARMACOLOGICAL SCIENCES (2000)
Characterization of the unfolding pathway of the cell-cycle protein p13suc1 by molecular dynamics simulations: implications for domain swapping
DOV Alonso et al.
STRUCTURE (2000)
分享论文
