Teaching and Assessing Computational Estimation Skills

1981 ◽  
Vol 82 (2) ◽  
pp. 117-127 ◽  
Author(s):  
Robert E. Reys ◽  
Barbara J. Bestgen
Keyword(s):  
Computational Estimation

Computational estimation of ESD conditions between a charged body and a conductor of floating potential

2001 ◽  
Vol 37 (3) ◽  
pp. 759-765 ◽  
Author(s):  
L. Dascalescu ◽  
P. Ribardiere ◽  
J.-M. Paillot ◽  
R. Allam
Keyword(s):  
Floating Potential ◽  
Computational Estimation ◽  
Charged Body

scholarly journals Computational estimation of calcium fluxes in isolated magnocellular neurons

2015 ◽  
Vol 16 (Suppl 1) ◽  
pp. P299
Author(s):  
S Kortus ◽  
G Dayanithi ◽  
M Zapotocky
Keyword(s):  
Magnocellular Neurons ◽  
Calcium Fluxes ◽  
Computational Estimation

scholarly journals Computational Estimation of Microsecond to Second Atomistic Folding Times

2019 ◽  
Vol 141 (16) ◽  
pp. 6519-6526 ◽  
Author(s):  
Upendra Adhikari ◽  
Barmak Mostofian ◽  
Jeremy Copperman ◽  
Sundar Raman Subramanian ◽  
Andrew A. Petersen ◽  
...  
Keyword(s):  
Computational Estimation

scholarly journals TADOSS: computational estimation of tandem domain swap stability

2018 ◽  
Vol 35 (14) ◽  
pp. 2507-2508 ◽  
Author(s):  
Aleix Lafita ◽  
Pengfei Tian ◽  
Robert B Best ◽  
Alex Bateman
Keyword(s):  
Large Scale ◽  
Domain Swapping ◽  
Coarse Grained ◽  
Supplementary Information ◽  
Simulation Studies ◽  
Computational Tools ◽  
Domain Swap ◽  
Computational Estimation ◽  
High Propensity ◽  
The Stability

Abstract Summary Proteins with highly similar tandem domains have shown an increased propensity for misfolding and aggregation. Several molecular explanations have been put forward, such as swapping of adjacent domains, but there is a lack of computational tools to systematically analyze them. We present the TAndem DOmain Swap Stability predictor (TADOSS), a method to computationally estimate the stability of tandem domain-swapped conformations from the structures of single domains, based on previous coarse-grained simulation studies. The tool is able to discriminate domains susceptible to domain swapping and to identify structural regions with high propensity to form hinge loops. TADOSS is a scalable method and suitable for large scale analyses. Availability and implementation Source code and documentation are freely available under an MIT license on GitHub at https://github.com/lafita/tadoss. Supplementary information Supplementary data are available at Bioinformatics online.

The S−S Bridge: A Mixed Experimental‐Computational Estimation of the Equilibrium Structure of Diphenyl Disulfide

ChemPhysChem ◽  
2018 ◽  
Vol 20 (3) ◽  
pp. 366-373 ◽  
Author(s):  
Jean Demaison ◽  
Natalja Vogt ◽  
Rizalina Tama Saragi ◽  
Marcos Juanes ◽  
Heinz Dieter Rudolph ◽  
...  
Keyword(s):  
Equilibrium Structure ◽  
Computational Estimation ◽  
Diphenyl Disulfide
Sign in / Sign up

Export Citation Format

Share Document