Molecular Dynamics of Anthraquinone DNA Intercalators with Polyethylene Glycol Side Chains

Intercalation of Daunomycin into Stacked DNA Base Pairs. DFT Study of an Anticancer Drug

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Alprazolam Intercalates into DNA

(2012) Biswarup Saha et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Binding of Hoechst 33258 and its Derivatives to DNA

(2012) N. P. Bazhulina et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular crowding of the cosolutes induces an intramolecular i-motif structure of triplet repeat DNA oligomers at neutral pH

(2010) Arivazhagan Rajendran et al.   CHEMICAL COMMUNICATIONS

Selective binding of small molecules to DNA: Application and perspectives

(2010) Bochu Wang et al.   COLLOIDS AND SURFACES B-BIOINTERFACES

Merging Implicit with Explicit Solvent Simulations: Polyethylene Glycol

(2010) Alok Juneja et al.   Journal of Chemical Theory and Computation

Conformational diversity of anthracycline anticancer antibiotics: A density functional theory calculation

(2010) Suhua Zhu et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Molecular Crowding Stabilizes Folded RNA Structure by the Excluded Volume Effect

(2010) Duncan Kilburn et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

DNA binding by pixantrone

(2010) Najia Adnan et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building

(2010) François-Yves Dupradeau et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Synthesis, cytotoxicity and human telomerase inhibition activities of a series of 1,2-heteroannelated anthraquinones and anthra[1,2-d]imidazole-6,11-dione homologues

(2009) Hsu-Shan Huang et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Partition of thermodynamic energies of drug-DNA complexation

(2009) V. V. Kostjukov et al.   BIOPOLYMERS

Stabilization of Three-Way Junctions of DNA under Molecular Crowding Conditions

(2009) Sanjukta Muhuri et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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(2009) Mark Robert Willcott   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular crowding creates an essential environment for the formation of stable G-quadruplexes in long double-stranded DNA

(2009) Ke-wei Zheng et al.   NUCLEIC ACIDS RESEARCH

Molecular crowding effects on structure and stability of DNA

(2008) Daisuke Miyoshi et al.   BIOCHIMIE

Synthesis, human telomerase inhibition and anti-proliferative studies of a series of 2,7-bis-substituted amido-anthraquinone derivatives

(2008) Hsu-Shan Huang et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Electrostatic contribution to the energy of binding of aromatic ligands with DNA

(2008) V. V. Kostjukov et al.   BIOPOLYMERS

Hydration of Drug−DNA Complexes: Greater Water Uptake for Adriamycin Compared to Daunomycin

(2008) Haijia Yu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Aminoacyl−Anthraquinone Conjugates as Telomerase Inhibitors: Synthesis, Biophysical and Biological Evaluation

(2008) Giuseppe Zagotto et al.   JOURNAL OF MEDICINAL CHEMISTRY

On the Molecular Mechanism of Drug Intercalation into DNA: A Simulation Study of the Intercalation Pathway, Free Energy, and DNA Structural Changes

(2008) Arnab Mukherjee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Amide bond direction modulates G-quadruplex recognition and telomerase inhibition by 2,6 and 2,7 bis-substituted anthracenedione derivatives

(2007) Giuseppe Zagotto et al.   BIOORGANIC & MEDICINAL CHEMISTRY

The implementation of a fast and accurate QM/MM potential method in Amber

(2007) Ross C. Walker et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY