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Physical Chemistry Chemical Physics : PCCP, ISSN 1463-9076, 01/2019, Volume 21, Issue 7, pp. 3877 - 3893
The intercalation process of binding doxorubicin (DOX) in DNA is studied by extensive MD simulations. Many molecular factors that control the binding affinity... 
Binding | Solvation | Computer simulation | Deformation mechanisms | Binding energy | Energy costs | Intercalation | Doxorubicin | Deoxyribonucleic acid--DNA | Free energy | Gene sequencing
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 06/2017, Volume 121, Issue 24, pp. 4721 - 4731
The effects of hydration and alkali metal ion (K+, Na+, Li+) bonding to two structural variants of poly(ethylene glycol),(PEG), viz., a,cyclic (18-crown-6)... 
POLYETHYLENE OXIDE | CROWN-ETHER COMPLEXES | 18-CROWN-6 | CHARGE-DISTRIBUTION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | CHEMISTRY, PHYSICAL | MOLECULE MASS-SPECTROMETRY | ELECTRONIC-STRUCTURE | CATION SELECTIVITY | NANOPORE | WATER | Usage | Chemical properties | Hydration (Chemistry) | Alkali metals
Journal Article
Biophysical Journal, ISSN 0006-3495, 02/2018, Volume 114, Issue 3, pp. 252a - 252a
Journal Article
Biophysical Journal, ISSN 0006-3495, 02/2018, Volume 114, Issue 3, pp. 528a - 528a
Journal Article
01/2018, ISBN 9780438711587
MS2 is a classical example of a single-stranded RNA virus for which the genomic RNA plays pivotal roles in the virus assembly process. Multiple dispersed RNA... 
Biochemistry | Biophysics | Physics
Dissertation
Journal of Physical Chemistry C, ISSN 1932-7447, 12/2017, Volume 121, Issue 51, pp. 28354 - 28363
Using a specific explicitly solvated interface model between a calcium carbonate binding peptide and crystalline aragonite, we investigate the electronic... 
BIOLOGICAL-MATERIALS | BIOMINERALIZATION | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | NACRE | ADSORPTION | MECHANICAL-PROPERTIES | POLYPEPTIDES | PROTEIN INTERFACE | NANOPARTICLES | METAL-IONS | SURFACES
Journal Article
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, ISSN 1539-3755, 08/2014, Volume 90, Issue 2
Journal Article
Physical Review E, ISSN 1539-3755, 08/2014, Volume 90, Issue 2
Journal Article
ISSN 1463-9076, 8/2016, Volume 18, Issue 31, pp. 21573 - 21585
We present a first-principles density functional study elucidating the effects of solvent, metal ions and topology on the electronic structure and hydrogen... 
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 07/2017, Volume 121, Issue 26, pp. 6321 - 6330
Journal Article
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, ISSN 1539-3755, 08/2014, Volume 90, Issue 2, pp. 022705 - 022705
We present a theoretical study of the electronic structure of four periodic B-DNA models labeled (AT)(10), (GC)(10), (AT)(5) (GC)(5), and (AT-GC)(5) where A... 
STATES | BASE-PAIRS | ACID | POLY(DA)-POLY(DT) DNA | CONDUCTIVITY | PHYSICS, FLUIDS & PLASMAS | PHOTOEMISSION | DOUBLE HELIX | PHYSICS, MATHEMATICAL | NANOTECHNOLOGY | WAVE BASIS-SET | MOLECULES | Ions - chemistry | Models, Genetic | Electricity | Hydrogen Bonding | Computer Simulation | DNA, B-Form - chemistry | Index Medicus
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2016, Volume 18, Issue 31, pp. 21573 - 21585
We present a first-principles density functional study elucidating the effects of solvent, metal ions and topology on the electronic structure and hydrogen... 
QUARTET | ORIGAMI | COLLAGEN | STABILITY | CHARGE-DISTRIBUTION | SEQUENCE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | GUANINE | SIMULATION | PARALLEL | LONG | DNA - chemistry | Hydrogen Bonding | Humans | Metals | Models, Molecular | G-Quadruplexes | Telomere | Index Medicus | Electronic structure | Water chemistry | Stability | Strands | Mathematical models | Guanines | Hydrogen bonding | Metal ions
Journal Article
Langmuir, ISSN 0743-7463, 09/2015, Volume 31, Issue 37, pp. 10145 - 10153
The self-assembly of heterogeneous mesoscale systems is mediated by long-range interactions, including van der Waals forces. Diverse mesoscale architectures,... 
FILMS | HAMAKER CONSTANTS | MATERIALS SCIENCE, MULTIDISCIPLINARY | DISPERSION FORCES | CHEMISTRY, PHYSICAL | PHYSICS | CHEMISTRY, MULTIDISCIPLINARY | Thermodynamics | Models, Chemical | Anisotropy | Solvents - chemistry | Index Medicus
Journal Article
01/2014, ISBN 1321473389
Doxorubicin (trade name Adriamycin, abbreviated DOX) is a well-known an- thracyclic chemotherapeutic used in treating a variety of cancers including acute... 
Theoretical physics | Physical chemistry
Dissertation
Himalayan Times, 08/2017
Newspaper Article
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