(Q35751959)

10 August 2017

title

Constant pH Molecular Dynamics Simulations of Nucleic Acids in Explicit Solvent (English)

1 reference

10 August 2017

Garrett B Goh

1

1 reference

10 August 2017

Jennifer L Knight

series ordinal

2

1 reference

10 August 2017

Charles L Brooks

series ordinal

3

1 reference

10 August 2017

publication date

1 January 2012

1 reference

Journal of Chemical Theory and Computation

10 August 2017

published in

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10 August 2017

volume

8

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10 August 2017

issue

1

1 reference

10 August 2017

page(s)

36-46

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Continuous Constant pH Molecular Dynamics in Explicit Solvent with pH-Based Replica Exchange

10 August 2017

cites work

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Direct measurement of a pK(a) near neutrality for the catalytic cytosine in the genomic HDV ribozyme using Raman crystallography

2 October 2017

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2 October 2017

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2 October 2017

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Role of an active site adenine in hairpin ribozyme catalysis

2 October 2017

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Constant pH molecular dynamics with proton tautomerism

2 October 2017

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Biomolecular simulations at constant pH.

2 October 2017

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Diversity of base-pair conformations and their occurrence in rRNA structure and RNA structural motifs.

2 October 2017

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2 October 2017

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Constant-pH molecular dynamics study of protonation-structure relationship in a heptapeptide derived from ovomucoid third domain

2 October 2017

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2 October 2017

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2 October 2017

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2 October 2017

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pH-dependent conformational flexibility within the ribosomal peptidyl transferase center.

2 October 2017

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A Novel View of pH Titration in Biomolecules†

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1 reference

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2 October 2017

1 reference

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1 reference

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Constant pH Molecular Dynamics in Explicit Solvent with λ-Dynamics

2 October 2017

1 reference

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12 July 2018

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12 July 2018

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The pH-dependent conformational states of kyotorphin: a constant-pH molecular dynamics study

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25 September 2018

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25 September 2018

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25 September 2018

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25 September 2018

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25 September 2018

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25 September 2018

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25 September 2018

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25 September 2018

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Accelerated molecular dynamics: a promising and efficient simulation method for biomolecules

25 September 2018

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A conformational switch controls hepatitis delta virus ribozyme catalysis

25 September 2018

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25 September 2018

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25 September 2018

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Adenine protonation in domain B of the hairpin ribozyme

25 September 2018

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25 September 2018

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25 September 2018

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25 September 2018

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Calculations of electrostatic energies in proteins. The energetics of ionized groups in bovine pancreatic trypsin inhibitor

25 September 2018

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25 September 2018

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12 December 2020

NMR studies of A.C mismatches in DNA dodecanucleotides at acidic pH. Wobble A(anti).C(anti) pair formation

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12 December 2020

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12 December 2020

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12 December 2020

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12 December 2020

Constant-pH molecular dynamics using continuous titration coordinates

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12 December 2020

The contribution of cytosine protonation to the stability of parallel DNA triple helices

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Constant-pH molecular dynamics simulations reveal a β-rich form of the human prion protein

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Effects of solute-solvent proton exchange on polypeptide chain dynamics: a constant-pH molecular dynamics study

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12 December 2020

Free energy of charges in solvated proteins: microscopic calculations using a reversible charging process

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A pH-sensitive RNA tertiary interaction affects self-cleavage activity of the HDV ribozymes in the absence of added divalent metal ion

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Theoretical investigation of the behavior of titratable groups in proteins

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Identifiers

DOI

10.1021/CT2006314

1 reference

10 August 2017

1 reference

10 August 2017

1 reference