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Physical Chemistry Chemical Physics : PCCP
|
October 25, 2021
<i>Ab initio</i> molecular dynamics simulations and experimental speciation study of levofloxacin under different pH conditions
Emanuele Previti, Claudia Foti, Ottavia Giuffrè, et al.
Journal of Chemical Theory and Computation
|
September 6, 2018
Structural Dynamics of Lateral and Diagonal Loops of Human Telomeric G-Quadruplexes in Extended MD Simulations
Barira Islam, Petr Stadlbauer, Miroslav Krepl, et al.
Plos Computational Biology
|
December 7, 2018
Molecular basis for the increased affinity of an RNA recognition motif with re-engineered specificity: A molecular dynamics and enhanced sampling simulations study
Anna Bochicchio, Miroslav Krepl, Fan Yang, et al.
Nucleic Acids Research
|
May 29, 2012
How does hydroxyl introduction influence the double helical structure: the stabilization of an altritol nucleic acid:ribonucleic acid duplex
Margriet Ovaere, Jiri Sponer, Judit E Sponer, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Quantum chemical benchmark study on 46 RNA backbone families using a dinucleotide unit
Holger Kruse, Arnost Mladek, Konstantinos Gkionis, et al.
Nucleic Acids Research
|
May 20, 2016
Synergy between NMR measurements and MD simulations of protein/RNA complexes: application to the RRMs, the most common RNA recognition motifs
Miroslav Krepl, Antoine Cléry, Markus Blatter, et al.
Journal of Chemical Theory and Computation
|
January 22, 2010
Effects of Restrained Sampling Space and Nonplanar Amino Groups on Free-Energy Predictions for RNA with Imino and Sheared Tandem GA Base Pairs Flanked by GC, CG, iGiC or iCiG Base Pairs
Ilyas Yildirim, Harry A Stern, Jiri Sponer, et al.
Nucleic Acids Research
|
June 13, 2018
An intricate balance of hydrogen bonding, ion atmosphere and dynamics facilitates a seamless uracil to cytosine substitution in the U-turn of the neomycin-sensing riboswitch
Miroslav Krepl, Jennifer Vögele, Holger Kruse, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 25, 2005
Are the hydrogen bonds of RNA (AU) stronger than those of DNA (AT)? A quantum mechanics study
Alberto Pérez, Jiri Sponer, Petr Jurecka, et al.
Nucleic Acids Research
|
June 17, 2009
Classification and energetics of the base-phosphate interactions in RNA
Craig L Zirbel, Judit E Sponer, Jiri Sponer, et al.
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Search research articles
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Showing results (21-30 of 59) with videos related to
Sort By:
Page
of 6
Physical Chemistry Chemical Physics : PCCP
|
October 25, 2021
<i>Ab initio</i> molecular dynamics simulations and experimental speciation study of levofloxacin under different pH conditions
Emanuele Previti, Claudia Foti, Ottavia Giuffrè, et al.
Journal of Chemical Theory and Computation
|
September 6, 2018
Structural Dynamics of Lateral and Diagonal Loops of Human Telomeric G-Quadruplexes in Extended MD Simulations
Barira Islam, Petr Stadlbauer, Miroslav Krepl, et al.
Plos Computational Biology
|
December 7, 2018
Molecular basis for the increased affinity of an RNA recognition motif with re-engineered specificity: A molecular dynamics and enhanced sampling simulations study
Anna Bochicchio, Miroslav Krepl, Fan Yang, et al.
Nucleic Acids Research
|
May 29, 2012
How does hydroxyl introduction influence the double helical structure: the stabilization of an altritol nucleic acid:ribonucleic acid duplex
Margriet Ovaere, Jiri Sponer, Judit E Sponer, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Quantum chemical benchmark study on 46 RNA backbone families using a dinucleotide unit
Holger Kruse, Arnost Mladek, Konstantinos Gkionis, et al.
Nucleic Acids Research
|
May 20, 2016
Synergy between NMR measurements and MD simulations of protein/RNA complexes: application to the RRMs, the most common RNA recognition motifs
Miroslav Krepl, Antoine Cléry, Markus Blatter, et al.
Journal of Chemical Theory and Computation
|
January 22, 2010
Effects of Restrained Sampling Space and Nonplanar Amino Groups on Free-Energy Predictions for RNA with Imino and Sheared Tandem GA Base Pairs Flanked by GC, CG, iGiC or iCiG Base Pairs
Ilyas Yildirim, Harry A Stern, Jiri Sponer, et al.
Nucleic Acids Research
|
June 13, 2018
An intricate balance of hydrogen bonding, ion atmosphere and dynamics facilitates a seamless uracil to cytosine substitution in the U-turn of the neomycin-sensing riboswitch
Miroslav Krepl, Jennifer Vögele, Holger Kruse, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 25, 2005
Are the hydrogen bonds of RNA (AU) stronger than those of DNA (AT)? A quantum mechanics study
Alberto Pérez, Jiri Sponer, Petr Jurecka, et al.
Nucleic Acids Research
|
June 17, 2009
Classification and energetics of the base-phosphate interactions in RNA
Craig L Zirbel, Judit E Sponer, Jiri Sponer, et al.
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of 6