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Journal of chemical theory and computation, ISSN 1549-9618, 09/2011, Volume 7, Issue 9, pp. 2886 - 2902
We report a reparameterization of the glycosidic torsion χ of the Cornell et al. AMBER force field for RNA, χOL. The parameters remove destabilization of the... 
Molecular Mechanics | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
Journal Article
Proceedings of the National Academy of Sciences - PNAS, ISSN 1091-6490, 01/2015, Volume 112, Issue 3, pp. 657 - 662
The coincidence of the Late Heavy Bombardment (LHB) period and the emergence of terrestrial life about 4 billion years ago suggest that extraterrestrial... 
SEE COMMENTARY | LIDB | Biomolecules | Origin of life | Asteroid impact | Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | Chemical synthesis | Observations | Craters | Molecules | Biosynthesis | Biochemistry | Organic chemicals | Extraterrestrial life | Spectrum analysis | Physical Sciences | asteroid impact | origin of life | biomolecules
Journal Article
Journal of chemical theory and computation, ISSN 1549-9618, 07/2012, Volume 8, Issue 7, pp. 2506 - 2520
Refinement of empirical force fields for nucleic acids requires their extensive testing using as wide range of systems as possible. However, finding... 
Journal Article
Nature communications, ISSN 2041-1723, 10/2018, Volume 9, Issue 1, pp. 4073 - 10
... J. Roberts1, Rafał Szabla2,3, Zoe R. Todd4, Shaun Stairs1, Dejan-Krešimir Bučar1, Jiří Šponer3, Dimitar D. Sasselov4 and Matthew W. Powner 1 Prebiotic... 
Origin of Life | Oxidation-Reduction | Arabinonucleosides - biosynthesis | Mercaptopurine | Photochemical Processes | Origins | Purines | Acids | Biological evolution | Nucleosides | Photochemicals | Catalysis | Ribonucleic acid--RNA | Chemical synthesis | Deoxyribonucleic acid--DNA | Prebiotics | Index Medicus
Journal Article
The journal of physical chemistry. B, ISSN 1520-6106, 01/2010, Volume 114, Issue 2, pp. 1191 - 1203
Journal Article
Proceedings of the National Academy of Sciences - PNAS, ISSN 0027-8424, 9/2006, Volume 103, Issue 36, pp. 13380 - 13385
Journal Article
Journal of chemical theory and computation, ISSN 1549-9618, 01/2013, Volume 9, Issue 1, pp. 707 - 721
The Dickerson–Drew dodecamer (DD) d[CGCGAATTCGCG]2 is a prototypic B-DNA molecule whose sequence-specific structure and dynamics have been investigated by many... 
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
Journal Article
Chemical physics, ISSN 0301-0104, 11/2018, Volume 515, pp. 502 - 508
Radiationless deactivation channels of 2-thiocytosine in aqueous environment are revisited by means of quantum-chemical simulations of excited-state absorption... 
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Chromophores | Hydroxides | Force and energy | Excited state chemistry | Physics - Chemical Physics
Journal Article
Nucleic acids research, ISSN 0305-1048, 09/2015, Volume 43, Issue 20, pp. 9626 - 9644
DNA G-hairpins are potential key structures participating in folding of human telomeric guanine quadruplexes (GQ). We examined their properties by standard MD... 
Life Sciences & Biomedicine | Biochemistry & Molecular Biology | Science & Technology | Telomere - chemistry | DNA - chemistry | Cations - chemistry | Humans | Oxytricha - genetics | G-Quadruplexes | Molecular Dynamics Simulation | Index Medicus | Computational Biology
Journal Article