Publications related to Dihedral angle

Molecular Bases of the Membrane Association Mechanism Potentiating Antibiotic Resistance by New Delhi Metallo-beta-lactamase 1

Matteo Dal Peraro, Alessio Prunotto, Guillermo Bahr

Resistance to last-resort carbapenem antibiotics is an increasing threat to human health, as it critically limits therapeutic options. Metallo-beta-lactamases (MBLs) are the largest family of carbapenemases, enzymes that inactivate these drugs. Among MBLs, ...

AMER CHEMICAL SOC2020

Methods and apparatus for three-dimensional fabrication by tomographic back projections

Christophe Moser, Paul Delrot, Damien Claude-Marie Loterie

A method for producing a three-dimensional object comprising computing a sequence of back-projections describing the three-dimensional object to be formed from different orientation angles of said object, defining a sequence of patterns of light using said ...

2019

Atomic Motif Recognition in (Bio)Polymers: Benchmarks From the Protein Data Bank

Michele Ceriotti, Piero Gasparotto, Benjamin Aaron Helfrecht, Federico Giberti

Rationalizing the structure and structure–property relations for complex materials such as polymers or biomolecules relies heavily on the identification of local atomic motifs, e.g., hydrogen bonds and secondary structure patterns, that are seen as buildin ...

2019

The performance of collars on scour reduction at tandem piers aligned with different skew angles

Anton Schleiss, Giovanni De Cesare, Sargol Memar

Local scouring is a leading cause of bridge collapses. To protect bridges against local scouring, different countermeasures have been proposed and tested in the literature. In this study, the performance of collars was evaluated for scour reduction at two ...

2019

Investigation of local scour around tandem piers for different skew-angles

Anton Schleiss, Giovanni De Cesare, Sargol Memar

In the present study the effect of the skew-angle of the alignment of tandem piers on local scour depth around them is investigated. The tandem piers were aligned with different skew-angles of 𝜃𝜃 = 0°, 30°, 45°, 60°, 90° with respect to the flow direction. ...

2018

Mobility law of dislocations with several character angles and temperatures in FCC Aluminum

Jean-François Molinari, Guillaume Anciaux, Jaehyun Cho

We study the mobility law of dislocations in aluminum as an important building block for the development of a multiscale method that couples an atomistic model with discrete dislocation dynamics in 3d (\eg CADD3d). Straight dislocations of arbitrary charac ...

Elsevier2017

Impact of dispersion forces on the atomic structure of a prototypical network-forming disordered system: The case of liquid GeSe2

Assil Bouzid, Carlo Massobrio

Aset of structural properties of liquid GeSe2 are calculated by using first-principles molecular dynamics and including, for the first time, van derWaals dispersion forces. None of the numerous atomic-scale simulations performed in the past on this prototy ...

Amer Inst Physics2017

Conformations of prolyl-peptide bonds in the bradykinin 1-5 fragment in solution and in the gas phase

Thomas Rizzo, Antoine Louis Claude Masson, Michael Zachary Kamrath, Liudmila Voronina, Carsten Baldauf

The dynamic nature of intrinsically disordered peptides makes them a challenge to characterize by solution-phase techniques. In order to gain insight into the relation between the disordered state and the environment, we explore the conformational space of ...

Amer Chemical Soc2016

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Dihedral angle

Molecular Bases of the Membrane Association Mechanism Potentiating Antibiotic Resistance by New Delhi Metallo-beta-lactamase 1

Methods and apparatus for three-dimensional fabrication by tomographic back projections

Atomic Motif Recognition in (Bio)Polymers: Benchmarks From the Protein Data Bank

The performance of collars on scour reduction at tandem piers aligned with different skew angles

X-Ray Nanotomography of Individual Pulp Fibre Bonds Reveals the Effect of Wall Thickness on Contact Area

Investigation of local scour around tandem piers for different skew-angles

Mechanical oscillator

Mobility law of dislocations with several character angles and temperatures in FCC Aluminum

Impact of dispersion forces on the atomic structure of a prototypical network-forming disordered system: The case of liquid GeSe2

Conformations of prolyl-peptide bonds in the bradykinin 1-5 fragment in solution and in the gas phase

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Chat with Graph Search

X-Ray Nanotomography of Individual Pulp Fibre Bonds Reveals the Effect of Wall Thickness on Contact Area

Mechanical oscillator

Atomic Motif Recognition in (Bio)Polymers: Benchmarks From the Protein Data Bank

Methods and apparatus for three-dimensional fabrication by tomographic back projections

The performance of collars on scour reduction at tandem piers aligned with different skew angles

Investigation of local scour around tandem piers for different skew-angles

Mobility law of dislocations with several character angles and temperatures in FCC Aluminum

Impact of dispersion forces on the atomic structure of a prototypical network-forming disordered system: The case of liquid GeSe2

Conformations of prolyl-peptide bonds in the bradykinin 1-5 fragment in solution and in the gas phase

Molecular Bases of the Membrane Association Mechanism Potentiating Antibiotic Resistance by New Delhi Metallo-beta-lactamase 1