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。Molecular Modeling Evaluation of Non-Steroidal Aromatase Inhibitors
Bheemanapalli Lakshmi Narayana et al.
CHEMICAL BIOLOGY & DRUG DESIGN (2012)
Identification and Characterization of Novel Small-Molecule Inhibitors against Hepatitis Delta Virus Replication by Using Docking Strategies
Sarita Singh et al.
Hepatitis Monthly (2012)
QSAR and pharmacophore studies of telomerase inhibitors
Atefeh Hajiagha Bozorgi et al.
MEDICINAL CHEMISTRY RESEARCH (2012)
BINANA: A novel algorithm for ligand-binding characterization
Jacob D. Durrant et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2011)
KiDoQ: using docking based energy scores to develop ligand based model for predicting antibacterials
Aarti Garg et al.
BMC BIOINFORMATICS (2010)
Human telomeric G-quadruplex: targeting with small molecules (Retraction of vol 6, pg 627, 2008)
Amit Arora et al.
FEBS JOURNAL (2010)
Structural insights into G-quadruplexes: towards new anticancer drugs
Danzhou Yang et al.
FUTURE MEDICINAL CHEMISTRY (2010)
Practical Considerations for Building GROMOS-Compatible Small-Molecule Topologies
Justin A. Lemkul et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)
Development of highly predictive 3D-QSAR CoMSIA models for anthraquinone and acridone derivatives as telomerase inhibitors targeting G-quadruplex DNA telomere
Vishal P. Zambre et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2010)
Synthesis and evaluation of 9-O-substituted berberine derivatives containing aza-aromatic terminal group as highly selective telomeric G-quadruplex stabilizing ligands
Yan Ma et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2009)
The structures of quadruplex nucleic acids and their drug complexes
Stephen Neidle
CURRENT OPINION IN STRUCTURAL BIOLOGY (2009)
Structural Investigations of Acridine Derivatives by CoMFA and CoMSIA Reveal Novel Insight into Their Structures toward DNA G-Quadruplex Mediated Telomerase Inhibition and Offer a Highly Predictive 3D-Model for Substituted Acridines
Vishal P. Zambre et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
Simultaneous chemiluminescence determination of promazine and fluphenazine using support vector regression
Ali A. Ensafi et al.
TALANTA (2009)
9-N-substituted berberine derivatives:: Stabilization of G-quadruplex DNA and down-regulation of oncogene c-myc
Yan Ma et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2008)
Binding of berberine to human telomeric quadruplex - spectroscopic, calorimetric and molecular modeling studies
Amit Arora et al.
FEBS JOURNAL (2008)
5-N-Methylated Quindoline Derivatives as Telomeric G-Quadruplex Stabilizing Ligands: Effects of 5-N Positive Charge on Quadruplex Binding Affinity and Cell Proliferation
Yu-Jing Lu et al.
JOURNAL OF MEDICINAL CHEMISTRY (2008)
Structural basis of DNA quadruplex recognition by an acridine drug
Nancy H. Campbell et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Stability and kinetics of G-quadruplex structures
Andrew N. Lane et al.
NUCLEIC ACIDS RESEARCH (2008)
On some aspects of variable selection for partial least squares regression models
Partha Pratim Roy et al.
QSAR & COMBINATORIAL SCIENCE (2008)
9-substituted berberine derivatives as G-quadruplex stabilizing ligands in telomeric DNA
Wan-Jin Zhang et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2007)
Principles of QSAR models validation: internal and external
Paola Gramatica
QSAR & COMBINATORIAL SCIENCE (2007)
Selectivity of an indolyl berberine derivative for tetrameric G-quadruplex DNA
Karina C. Gornall et al.
RAPID COMMUNICATIONS IN MASS SPECTROMETRY (2007)
An improved approximation to the estimation of the critical F values in best subset regression
David W. Salt et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
Dynamic roles for G4 DNA in the biology of eukaryotic cells
Nancy Maizels
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2006)
Comparison of multiple amber force fields and development of improved protein backbone parameters
Viktor Hornak et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2006)
A critical assessment of docking programs and scoring functions
Gregory L. Warren et al.
JOURNAL OF MEDICINAL CHEMISTRY (2006)
Natural and synthetic G-quadruplex interactive berberine derivatives
M Franceschin et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2006)
Trisubstituted acridines as G-quadruplex telomere targeting agents. Effects of extensions of the 3,6-and 9-side chains on quadruplex binding, telomerase activity, and cell proliferation
MJB Moore et al.
JOURNAL OF MEDICINAL CHEMISTRY (2006)
GROMACS: Fast, flexible, and free
D Van der Spoel et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Antitumor polycyclic acridines. 17. Synthesis and pharmaceutical profiles of pentacyclic acridinium salts designed to destabilize telomeric integrity
JC Cookson et al.
JOURNAL OF MEDICINAL CHEMISTRY (2005)
Design and synthesis of an expanded porphyrin that has selectivity for the c-MYC G-quadruplex structure
J Seenisamy et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
PRODRG:: a tool for high-throughput crystallography of protein-ligand complexes
AW Schüttelkopf et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2004)
Benchmarking least squares support vector machine classifiers
T van Gestel et al.
MACHINE LEARNING (2004)
Stabilization of the c-myc gene promoter quadruplex by specific ligands' inhibitors of telomerase
T Lemarteleur et al.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2004)
UCSF chimera - A visualization system for exploratory research and analysis
EF Pettersen et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs
L Eriksson et al.
ENVIRONMENTAL HEALTH PERSPECTIVES (2003)
Prediction of bioconcentration factor using genetic algorithm and artificial neural network
MH Fatemi et al.
ANALYTICA CHIMICA ACTA (2003)
The importance of being earnest: Validation is the absolute essential for successful application and interpretation of QSPR models
A Tropsha et al.
QSAR & COMBINATORIAL SCIENCE (2003)
Telomere maintenance as a target for anticancer drug discovery
S Neidle et al.
NATURE REVIEWS DRUG DISCOVERY (2002)
The SGB/NP hydration free energy model based on the surface generalized born solvent reaction field and novel nonpolar hydration free energy estimators
E Gallicchio et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2002)
Telomestatin, a potent telomerase inhibitor that interacts quite specifically with the human telomeric intramolecular G-quadruplex
MY Kim et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Beware of q(2)!
A Golbraikh et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2002)
Structure-based design of selective and potent G quadruplex-mediated telomerase inhibitors
M Read et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2001)
G-quadruplex DNA structures - Variations on a theme
T Simonsson
BIOLOGICAL CHEMISTRY (2001)
Induction of duplex to G-quadruplex transition in the c-myc promoter region by a small molecule
A Rangan et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2001)