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List of works by Freddie R Salsbury

All-Atom MD Predicts Magnesium-Induced Hairpin in Chemically Perturbed RNA Analog of F10 Therapeutic.

scientific article

All-Atom Molecular Dynamics Reveals Mechanism of Zinc Complexation with Therapeutic F10.

scientific article published on 8 September 2016

All-atom MD indicates ion-dependent behavior of therapeutic DNA polymer

article

All-atom molecular dynamics comparison of disease-associated zinc fingers.

scientific article published on 17 August 2017

Amyloid-β(29–42) Dimeric Conformations in Membranes Rich in Omega-3 and Omega-6 Polyunsaturated Fatty Acids

scientific article published on 14 March 2019

An efficient hybrid explicit/implicit solvent method for biomolecular simulations

scientific article

Autoinhibitory mechanisms of ERG studied by molecular dynamics simulations

scientific article

Binding Site Configurations Probe the Structure and Dynamics of the Zinc Finger of NEMO (NF-κB Essential Modulator).

scientific article

Conformational and oligomeric effects on the cysteine pK(a) of tryparedoxin peroxidase

scientific article published on August 2010

Constant-pH molecular dynamics using continuous titration coordinates

scientific article published on 01 September 2004

Cooperative nuclear localization sequences lend a novel role to the N-terminal region of MSH6.

scientific article

Cooperative stabilization of Zn(2+):DNA complexes through netropsin binding in the minor groove of FdU-substituted DNA.

scientific article

Destabilization of the MutSα's protein-protein interface due to binding to the DNA adduct induced by anticancer agent carboplatin via molecular dynamics simulations

scientific article published on 24 September 2013

Direct binding of Fas-associated death domain (FADD) to the tumor necrosis factor-related apoptosis-inducing ligand receptor DR5 is regulated by the death effector domain of FADD.

scientific article

Effects of Cisplatin binding to DNA on the dynamics of the E. Coli MutS dimer.

scientific article

Electrostatics of cysteine residues in proteins: parameterization and validation of a simple model.

scientific article

Experimentally Dissecting the Origins of Peroxiredoxin Catalysis

scientific article

Functional site profiling and electrostatic analysis of cysteines modifiable to cysteine sulfenic acid.

scientific article

Importance of long-time simulations for rare event sampling in zinc finger proteins

scientific article

Influence of electric field on the amyloid-β(29-42) peptides embedded in a membrane bilayer.

scientific article published in January 2018

Insights into Protein—DNA Interactions, Stability and Allosteric Communications: A Computational Study of Mutsα-DNA Recognition Complexes ⬇️

scientific article published on January 1, 2012

Mechanistic insights into thrombin's switch between "slow" and "fast" forms.

scientific article

Modeling of the metallo-beta-lactamase from B. fragilis: structural and dynamic effects of inhibitor binding.

scientific article published in September 2001

Molecular dynamic simulations of the metallo-beta-lactamase from Bacteroides fragilis in the presence and absence of a tight-binding inhibitor

scientific article published on 28 November 2008

Molecular dynamics simulations of aptamer-binding reveal generalized allostery in thrombin.

scientific article

Molecular dynamics simulations of protein dynamics and their relevance to drug discovery ⬇️

scientific article published on December 1, 2010

Mutations in the nucleotide-binding domain of MutS homologs uncouple cell death from cell survival.

scientific article published in July 2004

Non-specificity and synergy at the binding site of the carboplatin-induced DNA adduct via molecular dynamics simulations of the MutSα-DNA recognition complex.

scientific article published on 25 June 2013

Parameters of Reserpine Analogs That Induce MSH2/MSH6‐Dependent Cytotoxic Response ⬇️

scientific article published on September 13, 2010

Probing light chain mutation effects on thrombin via molecular dynamics simulations and machine learning.

scientific article published on 22 February 2018

Recapturing the Correlated Motions of Protein Using Coarse- Grained Models.

scientific article published on January 2015

Site-specific DNA-doxorubicin conjugates display enhanced cytotoxicity to breast cancer cells.

scientific article published on 06 February 2014

Small molecule induction of MSH2-dependent cell death suggests a vital role of mismatch repair proteins in cell death.

scientific article

Small static electric field strength promotes aggregation-prone structures in amyloid-β(29-42).

scientific article published in April 2017

Structural and electrostatic asymmetry at the active site in typical and atypical peroxiredoxin dimers.

scientific article published on 4 April 2012

Structure and Dynamics of tRNA Containing Core Substitutions

article published in 2018

The Stability of a Model Substrate for Topoisomerase 1-Mediated DNA Religation Depends on the Presence of Mismatched Base Pairs ⬇️

scientific article published on August 28, 2011

The molecular mechanism of DNA damage recognition by MutS homologs and its consequences for cell death response

scientific article published on 28 April 2006

The molecular origin of the MMR-dependent apoptosis pathway from dynamics analysis of MutSα-DNA complexes ⬇️

scientific article published on June 18, 2012

Uncovering Large-Scale Conformational Change in Molecular Dynamics without Prior Knowledge

scientific article published in November 2016

Visualizing correlated motion with HDBSCAN clustering

scientific article published on 11 August 2017

Visualizing ensembles in structural biology

scientific article

Zn2+ selectively stabilizes FdU-substituted DNA through a unique major groove binding motif ⬇️

scientific article published on February 3, 2011

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