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Showing 161 - 180 of 375

161

Automating tasks in protein structure determination with the clipper python module.
McNicholas S ; Croll T ; Burnley T ; et al.
Publisher: Cold Spring Harbor Laboratory Press Country of Publication: United States NLM ID: 9211750 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1469-896X (Electronic) Linking ISSN: 09618368 NLM ISO Abbreviation: Protein Sci Subsets: MEDLINE

Cryoelectron Microscopy Protein Conformation Databases, Protein Programming Languages Proteins chemistry
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162

MDLab: A molecular dynamics simulation prototyping environment.
CICKOVSKI, TREVOR ; CHATTERJEE, SANTANU ; WENGER, JACOB ; et al.
Journal of Computational Chemistry. 5/1/2010, Vol. 31 Issue 7, p1345-1356. 12p. 30 Diagrams, 3 Charts, 2 Graphs.

MOLECULAR dynamics SIMULATION methods & mod... ATOMS APPROXIMATION theory SPEED
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163

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164

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165

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166

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167

Parallellization of evoQSAR modeling framework and graphical user interface design using PyQt for drug design
Su, Eric (author) ; Kumar, Sunil ; Garg, Rajini ; et al.

QA75.2
Dissertation/ Thesis
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168

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169

Assessing the accuracy and efficacy of multiscale computational methods in predicting reaction mechanisms and kinetics of SN2 reactions and Claisen rearrangement
Maryam Haji Dehabadi ; Hamid Saidi ; Faezeh Zafari ; et al.
Scientific Reports, Vol 14, Iss 1, Pp 1-13 (2024)

Multiscale modeling ORCA software QM/MM Reaction mechanism Python scripting Medicine …
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170

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171

Το Α.Ι. ήταν πάντα εδώ: Απλά εργαλεία για σύνθετα προβλήματα
Georgiou, Harris ; orcid:0000-0003-3462-

Data science Machine learning Artificial intelligence Computer and information... Science and technology s... Computational science …
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172

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173

ABAQUS Plug-In Finite Element Tool for Designing and Analyzing Lattice Cell Structures
Fadeel, Abdalsalam ; Abdulhadi, Hasanain ; Srinivasan, Raghavan ; et al.
Mechanical and Materials Engineering Faculty Publications

3D-printed lattice struc... finite element modeling ABAQUS plugin tools graphical user interface Python scripting Engineering …
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174

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175

Computational insights on the origin of enantioselectivity in reactions with diarylprolinol silyl ether catalysts via a radical pathway
Lam, Ching Ching ; Goodman, Jonathan M

3405 Organic Chemistry 34 Chemical Sciences 3407 Theoretical and Com...
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176

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177

Python as a federation tool for GENESIS 3.0.
Hugo Cornelis ; Armando L Rodriguez ; Allan D Coop ; et al.
PLoS ONE, Vol 7, Iss 1, p e29018 (2012)

Medicine Science
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178

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179

OpenABC enables flexible, simplified, and efficient GPU accelerated simulations of biomolecular condensates
Liu, Shuming ; Wang, Cong ; Latham, Andrew P ; et al.
PLOS Computational Biology, vol 19, iss 9

46 Information and Compu... 4601 Applied Computing (... Networking and Informati... Bioengineering (rcdc) Generic health relevance... Biomolecular Condensates... …
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180

Integrating neuroinformatics tools in TheVirtualBrain
Woodman, M. Marmaduke ; Pezard, Laurent ; Domide, Lia ; et al.
ISSN: 1662-5196 ; Frontiers in Neuroinformatics ; https://amu.hal.science/hal-01771222 ; Frontiers in Neuroinformatics, 2014, 8, pp.36. ⟨10.3389/fninf.2014.00036⟩.

Python brain networks connectivity neural mass time delays magnetoencephalography …
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