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181

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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182

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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184

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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185

Virtual personal assistance
S Kedar ; G Biswadeep ; S Sundar ; et al.
IOP Conference Series: Materials Science and Engineering. 263:052022

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186

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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187

SpectraMatcher: A Python Program for Interactive Analysis and Peak Assignment of Vibronic Spectra
Langner, Johanna ; Weber, Isabelle ; Witek, Henryk A. ; et al.

Chemical Physics (physic... J.2 Biological Physics (phys... Physics - Chemical Physi... FOS: Physical sciences Physics - Biological Phy... …
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188

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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189

Analysis of topological properties and drug discovery for bipolar disorder and associated diseases: A bioinformatics approach
Khairul Alam Shadhin ; Md. Rakibul Hasan ; Iraj Sadegh Amiri ; et al.
Cellular and Molecular Biology. 66:152-160

FOS: Computer and inform... 0301 basic medicine Bipolar Disorder Neuroimmune Interaction... Genotype Bipolar disorder …
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190

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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191

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192

Dicodon-based measures for modeling gene expression
Andrés M. Alonso ; Luis Diambra
Bioinformatics
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas

GENE EXPRESSION Protein Folding Translation (biology) Gene Expression Saccharomyces cerevisiae Gene …
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193

gmxapi: A GROMACS-native Python interface for molecular dynamics with ensemble and plugin support
Irrgang, M. Eric ; Davis, Caroline ; Kasson, Peter M. ; et al.
PLOS Computational Biology ; volume 18, issue 2, page e1009835 ; ISSN 1553-7358

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194

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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195

K‐mer counting and curated libraries drive efficient annotation of repeats in plant genomes
Carla Valeria Filippi ; Paul Flicek ; James E. Allen ; et al.
Plant Genome
The Plant Genome, Vol 14, Iss 3, Pp n/a-n/a (2021)
The Plant Genome 14 (3) : e20143 (November 2021)
INTA Digital (INTA)
Instituto Nacional de Tecnología Agropecuaria

Fitogenética 0301 basic medicine genome annotation Genome Evolution and Pol... Annotation Repetitive Elements …
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196

Dataset for random uniform distributions of 2D circles and 3D spheres
Marek Wojciechowski
Data in Brief, Vol 43, Iss , Pp 108318- (2022)

Random ditribution of ci... Random distribution of s... Homogenization Representative volume el... Statistical volume eleme... Computer applications to... …
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197

Efficient masking of plant genomes by combining kmer counting and curated repeats
Bruno Contreras-Moreira ; Guy Naamati ; García Girón C ; et al.

0301 basic medicine Artificial intelligence genome annotation Genome Evolution and Pol... Annotation Repetitive Elements …
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198

AMDock: a versatile graphical tool for assisting molecular docking with Autodock Vina and Autodock4
Pedro A. Valiente ; Mario E. Valdés-Tresanco ; Ernesto Moreno ; et al.
Biol Direct
Biology Direct, Vol 15, Iss 1, Pp 1-12 (2020)

FOS: Computer and inform... 0301 basic medicine FOS: Health sciences Ligands Biochemistry Gene …
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199

Use of EPICS and Python technology for the development of a computational toolkit for high heat flux testing of plasma facing components
Rajamannar Swamy ; S.S. Khirwadkar ; R. Sugandhi
Fusion Engineering and Design. 112:783-787

0103 physical sciences 7. Clean energy 01 natural sciences
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200

Applying 3D Models of Giant Salamanders to Explore Form–Function Relationships in Early Digit-Bearing Tetrapods
Kawano, Sandy M ; Martin, Johnson ; Medina, Joshua ; et al.
Integrative And Comparative Biology ; volume 64, issue 3, page 715-728 ; ISSN 1540-7063 1557-7023

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