Results 51 to 60 of about 95,657 (238)

Identification of coumarin derivatives targeting acetylcholinesterase for Alzheimer's disease by field-based 3D-QSAR, pharmacophore model-based virtual screening, molecular docking, MM/GBSA, ADME and MD Simulation study

Current Research in Structural Biology
Alzheimer's disease (AD) leads to gradual memory loss including other compromised cognitive abilities. Acetylcholinesterase (AChE), an important biochemical enzyme from the cholinesterase (ChE) family, is recognized as primary pharmacological target for ...
Bikram Saha, Agnidipta Das, Kailash Jangid, Amit Kumar, Vinod Kumar, Vikas Jaitak   +5 more
doaj   +1 more source

RNA secondary structure prediction from multi-aligned sequences [PDF]

, 2013
It has been well accepted that the RNA secondary structures of most functional non-coding RNAs (ncRNAs) are closely related to their functions and are conserved during evolution.
A Balik, A Pauli, A Wilm, A Wilm, AC Penn, AR Gruber, AS Richter, B Knudsen, B Knudsen, C Witwer, CB Do, D Jager, D Sankoff, D Wei, DH Mathews, DH Mathews, E Bindewald, E Freyhult, E Rivas, EJ Meer, H Kiryu, H Yonemoto, IA Qureshi, IL Hofacker, IL Hofacker, IV Novikova, J Ruan, J Spirollari, JG Underwood, JM Watts, JR Proctor, JS McCaskill, JT Low, K Katoh, K Sato, K Sato, K Sato, KM Wong, LE Carvalho, M Andronescu, M Andronescu, M Esteller, M Hamada, M Hamada, M Hamada, M Hamada, M Hamada, M Hamada, M Hamada, M Hamada, M Kertesz, ME Nebel, MS Andronescu, P Ge, PP Gardner, PS Pang, R Luck, RD Dowell, RJ Klein, S Washietl, S Washietl, S Washietl, S Washietl, SE Seemann, SE Seemann, SH Bernhart, SM Sahraeian, SW Burge, T Puton, T Xia, Y Kato, Z Sukosd   +71 more
core   +1 more source

Combined Process‐ and Phase‐Field‐Simulation to Predict the Microstructure of Single‐Crystal Ni‐Based Superalloys

Advanced Engineering Materials, EarlyView.
A combined finite element and phase‐field approach predicts the evolution of microstructure during the directional solidification of Ni‐based superalloys. The model reveals how withdrawal rate, temperature gradient, and wall thickness control the dendrite spacing, highlighting the strong effect of surface regions in thin sections where dendrite growth ...
Sean Böhm, André B. Baldissera, Rainer Völkl, Uwe Glatzel   +3 more
wiley   +1 more source

In silico identification of potential inhibitors of Mycobacterium tuberculosis MmpS5L5 from the ReFRAME database: a structure-based virtual screening, molecular docking and molecular dynamics approach

Frontiers in Cellular and Infection Microbiology
IntroductionTuberculosis (TB), caused by Mycobacterium tuberculosis (Mtb), is the leading infectious cause of death globally, disproportionately impacting low- and medium-income countries (LMICs).
Caroline Maina, Edwin Murungi, Elizabeth Kigondu   +2 more
doaj   +1 more source

Exergy analysis of a PWR core heat transfer [PDF]

, 2016
The exergetic analysis, a methodology of thermodynamics that quantifies of energy losses associated with irreversibility, allows to optimize the efficiencies of the various stages of a transformation process and thus its overall efficiency.
FERRONI, Luisa, GATTO, RENATO, NATALE, ANTONIO   +2 more
core   +1 more source

Thermophysical Properties of the Desulphurization Slags With Various CaS and CaO/Al2O3 Ratio

Advanced Engineering Materials, EarlyView.
This article investigates how CaS content and the CaO/Al2O3 ratio influence the thermophysical properties of desulphurization slags. Using experimental measurements and thermodynamic simulations, this study reveals complex effects on viscosity, surface tension, and density, providing new insight into slag structure and phase behavior under ...
Eldar Salpagarov, Matheus Roberto Bellé, Anton Yehorov, Julia Richter, Olena Volkova   +4 more
wiley   +1 more source

Laboratory-Scale Implementation of Standardized Reconstituted Geothermal Water for Electrochemical Investigations of Carbon Steel Corrosion

Metals
Currently, the demand for heat production by geothermal energy is increasingly strong amid the controversy surrounding non-renewable forms of energy. In France, the Dogger aquifer in the Paris Basin (DAPB) produces saline geothermal waters (GWs) that are
Stephanie Betelu, Chahinez Helali, Ioannis Ignatiadis   +2 more
doaj   +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., Bunney, K.G., Kyle, J.H., May, P.M., Pleysier, R.   +4 more
core   +2 more sources

Interaction of MgO Recyclate‐Based Cermet Anode With KF‐AlF3‐Al2O3 at 800°C During Laboratory Scale Aluminum Molten Salt Electrolysis

Advanced Engineering Materials, EarlyView.
A carbon‐free, as‐sintered MgO–steel cermet anode, fabricated via cold isostatic pressing using MgO–C refractory recyclate, was evaluated under laboratory‐scale K‐cryolite electrolysis at 800°C. Operation at this reduced temperature, combined with the electrolyte's limited electrical conductivity, led to an increase in cell voltage.
Farhan Hossain, Alexander Adamczyk, Felipe Alejandro Garcia Paz, Serhii Yaroshevskyi, Felix Drechsler, Daniel Vogt, Christos G. Aneziris, Alexandros Charitos   +7 more
wiley   +1 more source

Absolute Entropy and Energy of Carbon Dioxide Using the Two-Phase Thermodynamic Model [PDF]

, 2011
The two-phase thermodynamic (2PT) model is used to determine the absolute entropy and energy of carbon dioxide over a wide range of conditions from molecular dynamics trajectories.
Goddard, William A., III, Huang, Shao-Nung, Lin, Shiang-Tai, Maiti, Prabal K., Pascal, Tod A.   +4 more
core   +1 more source