List of works - David Řeha

1.2 Å resolution crystal structure of Escherichia coli WrbA holoprotein

scientific article

A residue of motif III positions the helicase domains of motor subunit HsdR in restriction-modification enzyme EcoR124I

scientific article published on 26 June 2018

Aggregation and metal-complexation behaviour of THPP porphyrin in ethanol/water solutions as function of pH.

scientific article

An in silico design for a DNA nanomechanical switch.

scientific article published in October 2010

Binding-competent states for L-arginine in E. coli arginine repressor apoprotein.

scientific article

Biphasic Kinetic Behavior of E. coli WrbA, an FMN-Dependent NAD(P)H:Quinone Oxidoreductase ⬇️

scientific article published on August 29, 2012

Exceptional thermodynamic stability of DNA duplexes modified by nonpolar base analogues is due to increased stacking interactions and favorable solvation: Correlated ab initio calculations and molecular dynamics simulations.

scientific article published in April 2006

Influence of ligand binding on structure and thermostability of human α1-acid glycoprotein.

scientific article published on 24 September 2015

Interdomain communication in the endonuclease/motor subunit of type I restriction-modification enzyme EcoR124I

scientific article published on 28 June 2014

Mechanistic insight into the RNA stimulated-ATPase activity of tick-borne encephalitis virus helicase

scientific article published in 2022

Molecular dynamics comparison of E. coli WrbA apoprotein and holoprotein.

scientific article

Potential Energy Surfaces of an Adenine−Thymine Base Pair and Its Methylated Analogue in the Presence of One and Two Water Molecules: Molecular Mechanics and Correlated Ab Initio Study

scientific article published on 01 June 2005

Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA

scientific article

Racemization barriers of 1,1'-binaphthyl and 1,1'-binaphthalene-2,2'-diol: a DFT study.

scientific article published on July 2003

Structure and IR spectrum of phenylalanyl-glycyl-glycine tripetide in the gas-phase: IR/UV experiments, ab initio quantum chemical calculations, and molecular dynamic simulations.

scientific article published in November 2005

Structure of Isolated Tryptophyl-Glycine Dipeptide and Tryptophyl-Glycyl-Glycine Tripeptide: Ab Initio SCC-DFTB-D Molecular Dynamics Simulations and High-Level Correlated ab Initio Quantum Chemical Calculations

article

The helical domain of the EcoR124I motor subunit participates in ATPase activity and dsDNA translocation.

scientific article

The mechanism of the glycosylase reaction with hOGG1 base-excision repair enzyme: concerted effect of Lys249 and Asp268 during excision of 8-oxoguanine

scientific article

The study of conformational changes in photosystem II during a charge separation

scientific article published on 09 March 2020

Theoretical and experimental study of the antifreeze protein AFP752, trehalose and dimethyl sulfoxide cryoprotection mechanism: correlation with cryopreserved cell viability

scientific article published on 23 December 2016

Transmembrane helix connectivity in Orai1 controls two gates for calcium-dependent transcription.

scientific article published on 28 November 2017

List of works by David Řeha

1.2 Å resolution crystal structure of Escherichia coli WrbA holoprotein

A residue of motif III positions the helicase domains of motor subunit HsdR in restriction-modification enzyme EcoR124I

Aggregation and metal-complexation behaviour of THPP porphyrin in ethanol/water solutions as function of pH.

An in silico design for a DNA nanomechanical switch.

Binding-competent states for L-arginine in E. coli arginine repressor apoprotein.

Biphasic Kinetic Behavior of E. coli WrbA, an FMN-Dependent NAD(P)H:Quinone Oxidoreductase ⬇️

Exceptional thermodynamic stability of DNA duplexes modified by nonpolar base analogues is due to increased stacking interactions and favorable solvation: Correlated ab initio calculations and molecular dynamics simulations.

Influence of ligand binding on structure and thermostability of human α1-acid glycoprotein.

Interdomain communication in the endonuclease/motor subunit of type I restriction-modification enzyme EcoR124I

Mechanistic insight into the RNA stimulated-ATPase activity of tick-borne encephalitis virus helicase

Molecular dynamics comparison of E. coli WrbA apoprotein and holoprotein.

Potential Energy Surfaces of an Adenine−Thymine Base Pair and Its Methylated Analogue in the Presence of One and Two Water Molecules: Molecular Mechanics and Correlated Ab Initio Study

Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA

Racemization barriers of 1,1'-binaphthyl and 1,1'-binaphthalene-2,2'-diol: a DFT study.

Structure and IR spectrum of phenylalanyl-glycyl-glycine tripetide in the gas-phase: IR/UV experiments, ab initio quantum chemical calculations, and molecular dynamic simulations.

Structure of Isolated Tryptophyl-Glycine Dipeptide and Tryptophyl-Glycyl-Glycine Tripeptide: Ab Initio SCC-DFTB-D Molecular Dynamics Simulations and High-Level Correlated ab Initio Quantum Chemical Calculations

The helical domain of the EcoR124I motor subunit participates in ATPase activity and dsDNA translocation.

The mechanism of the glycosylase reaction with hOGG1 base-excision repair enzyme: concerted effect of Lys249 and Asp268 during excision of 8-oxoguanine

The study of conformational changes in photosystem II during a charge separation

Theoretical and experimental study of the antifreeze protein AFP752, trehalose and dimethyl sulfoxide cryoprotection mechanism: correlation with cryopreserved cell viability

Transmembrane helix connectivity in Orai1 controls two gates for calcium-dependent transcription.