PINT: Protein-protein Interactions Thermodynamic Database
Nucleic Acids Research, 2006 The first release of Protein-protein Interactions Thermodynamic Database (PINT) contains >1500 data of several thermodynamic parameters along with sequence and structural information, experimental conditions and literature information. Each entry contains numerical data for the free energy change, dissociation constant, association constant, enthalpy ...
Kumar, M. D. Shaji, Gromiha, M. Michael
openaire +2 more sources
Computational Thermodynamics and Kinetics in Materials Modelling and Simulations [PDF]
, 2007 Over the past two decades, Computational Thermodynamics and Kinetics have been tremendously contributed to materials modeling and simulations and the demands on quantitative conceptual design and processing of various advanced materials arisen from ...
Agren, John +6 more
core +2 more sources
eQuilibrator 3.0: a database solution for thermodynamic constant estimation
Nucleic Acids Res., 2021 eQuilibrator (equilibrator.weizmann.ac.il) is a database of biochemical equilibrium constants and Gibbs free energies, originally designed as a web-based interface.
M. Beber +6 more
semanticscholar +1 more source
A new procedure to analyze RNA non-branching structures [PDF]
, 2015 RNA structure prediction and structural motifs analysis are challenging tasks in the investigation of RNA function. We propose a novel procedure to detect structural motifs shared between two RNAs (a reference and a target).
FISCON, GIULIA +3 more
core +1 more source
Applied Geochemistry, 2019 Environmental hazards are caused by uranium mining legacies and enhanced radioactivity in utilized groundwater and surface water resources. Knowledge of uranium speciation in these waters is essential for predicting radionuclide migration and for ...
E. L. Mühr-Ebert, F. Wagner, C. Walther
semanticscholar +1 more source
Review of trace toxic elements (Pb, Cd, Hg, As, Sb, Bi, Se, Te) and their deportment in gold processing. Part 1: Mineralogy, aqueous chemistry and toxicity [PDF]
, 2011 A literature review on the deportment of trace toxic elements (Pb, Cd, Hg, As, Sb, Bi, Se, and Te) in gold processing by cyanidation is presented which compiles the current knowledge in this area and highlights the gaps.
Breuer, P.L. +4 more
core +2 more sources
First-Principles-Based Thermodynamic Description of Solid Copper Using the Tight-Binding Approach [PDF]
, 2002 A tight-binding model is fit to first-principles calculations for copper that include structures distorted according to elastic constants and high-symmetry phonon modes.
Albers, R. C. +3 more
core +1 more source
A Data Resource for Prediction of Gas-Phase Thermodynamic Properties of Small Molecules
Data, 2022 The thermodynamic properties of a substance are key to predicting its behavior in physical and chemical systems. Specifically, the enthalpy of formation and entropy of a substance can be used to predict whether reactions involving that substance will ...
William Bains +3 more
doaj +1 more source
The thermodynamic landscape of carbon redox biochemistry [PDF]
, 2018 Redox biochemistry plays a key role in the transduction of chemical energy in all living systems. Observed redox reactions in metabolic networks represent only a minuscule fraction of the space of all possible redox reactions.
Aspuru-Guzik, Alán +7 more
core +1 more source
Critical Evaluation and Thermodynamic Optimization of the Cu-Zn, Cu-Se and Zn-Se Binary Systems
Metals, 2022 In our study, a complete review of the literature, critical evaluation and thermodynamic assessment of the Cu-Zn, Cu-Se and Zn-Se binary systems were carried out.
Yu Tang +5 more
doaj +1 more source