Precise Molecular Structures of Cysteine, Cystine, Hydrogen-Bonded Dicysteine, Cysteine Dipeptide, Glutathione and Acetyl Cysteine Based on Additivity of Atomic Radii [PDF]
, 2011 Structures of molecules are usually represented by arbitrary line drawings, ball and stick or space filling models. In recent years, the author found that using the appropriate radii of atoms and ions, bond lengths in inorganic, organic and biomolecules ...
Raji Heyrovska
core +1 more source
Ab initio study of alanine polypeptide chains twisting
, 2005 We have investigated the potential energy surfaces for alanine chains consisting of three and six amino acids. For these molecules we have calculated potential energy surfaces as a function of the Ramachandran angles Phi and Psi, which are widely used ...
A. D. MacKerell +13 more
core +1 more source
It's a Gas: Bioconjugation With Vapor‐Phase Reagents
Chemistry – A European Journal, EarlyView.Gaseous reagents are an emerging class of bioconjugation reagents that can offer alternative selectivity paradigms for the construction of precise bioconjugates. A variety of both inert and highly reactive gases have recently been developed for bioconjugation use.
Yuxuan Ding, Jun Ohata, Zachary T. Ball
wiley +1 more source
Quantum Diffusive Dynamics of Macromolecular Transitions
, 2011 We study the role of quantum fluctuations of atomic nuclei in the real-time dynamics of non-equilibrium macro-molecular transitions. To this goal we introduce an extension of the Dominant Reaction Pathways (DRP) formalism, in which the quantum ...
Beccara, S. a +2 more
core +1 more source
Ion–Molecule Reaction Products as Probes and Precursors for Preparative Mass Spectrometry
Chemistry – A European Journal, EarlyView.Ion–molecule reactions in the gas phase of mass spectrometers are important for preparative mass spectrometry because they (1) provide knowledge about the intrinsic reactivity of ions, helping to predict and control their reactivity at interfaces, and (2) generate new complex ions that can be mass selected and deposited on surfaces.
Markus Rohdenburg +4 more
wiley +1 more source
Conformational changes in glycine tri- and hexapeptide
, 2005 We have investigated the potential energy surfaces for glycine chains consisting of three and six amino acids. For these molecules we have calculated potential energy surfaces as a function of the Ramachandran angles phi and psi, which are widely used ...
Greiner, Walter +3 more
core +1 more source
Synthetic Strategies for Activity‐Based Probes to Decode Ubiquitin‐Like Modifiers
Chemistry – A European Journal, EarlyView.ABSTRACT Ubiquitin‐like proteins (Ubls) such as SUMO, NEDD8, ISG15, URM1, UFM1, FAT10, ATG8/ATG12, and FUBI are essential regulators of cellular homeostasis, controlling processes from protein stability and trafficking to immune signaling and autophagy.
Saibal Chanda +5 more
wiley +1 more source
Free Energies of Reaction for Aqueous Glycine Condensation Chemistry at Extreme Temperatures
Geophysical Monograph Series, Page 271-283., 2020 This book is Open Access. A digital copy can be downloaded for free from Wiley Online Library.
Explores the behavior of carbon in minerals, melts, and fluids under extreme conditions
Carbon trapped in diamonds and carbonate-bearing rocks in subduction zones are examples of the continuing exchange of substantial carbon ...
Matthew Kroonblawd, Nir Goldman
wiley +1 more source
FREQUENCY OF DIPEPTIDES AND ANTIDIPEPTIDES
Computational and Structural Biotechnology Journal, 2013 Although it is reasonable to expect that the frequency of a generic dipeptide XY in proteins is the same of its counterpart YX, on the basis of an accurate statistical analysis of a large number of protein sequences, it appears that some dipeptides XY are considerably more frequent than their mirror images YX, referred to as antidipeptides.
openaire +4 more sources
First-principles molecular structure search with a genetic algorithm
, 2015 The identification of low-energy conformers for a given molecule is a fundamental problem in computational chemistry and cheminformatics. We assess here a conformer search that employs a genetic algorithm for sampling the low-energy segment of the ...
Baldauf, Carsten +2 more
core +2 more sources