المؤلفون: E. Adrian Henle (11948358), Nickolas Gantzler (11948361), Praveen K. Thallapally (1370520), Xiaoli Z. Fern (11403474), Cory M. Simon (1669942)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Cancer, Plant Biology, Computational Biology, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, install functional groups, diverse atomistic systems, structural modification tasks, ray structure determination, replace operations implemented, mimicking postsynthetic modification, orthogonal procrustes algorithm, documented julia package, crystal structure graph, postsynthetic modification, julia package, crystal structure, replace algorithm, crystal structures, virtual screenings, ullmann ’, targeted substructure, silico <, resolving disorder, replacement fragment, query fragment, prominent application

Relation: https://figshare.com/articles/journal_contribution/PoreMatMod_jl_Julia_Package_for_i_in_Silico_i_Postsynthetic_Modification_of_Crystal_Structure_Models/18396396

الاتاحة: https://doi.org/10.1021/acs.jcim.1c01219.s001

المؤلفون: Arni Sturluson (6079376), Ali Raza (3558965), Grant D. McConachie (11403471), Daniel W. Siderius (2085517), Xiaoli Z. Fern (11403474), Cory M. Simon (1669942)

مصطلحات موضوعية: Medicine, Biotechnology, Evolutionary Biology, Ecology, Developmental Biology, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, “ map ”, modularly synthesized classes, many different materials, covalent organic frameworks, many different npms, cofs ), offer, 2 , cof – adsorption, relevant adsorption properties, adsorption properties congregate, property matrix constructed, cof recommendation system, recommendation system, adsorption properties, property matrix, adsorption tasks, adsorption task, adsorption property, would enable, wherein cofs

Relation: https://figshare.com/articles/journal_contribution/Recommendation_System_to_Predict_Missing_Adsorption_Properties_of_Nanoporous_Materials/16583715

الاتاحة: https://doi.org/10.1021/acs.chemmater.1c01201.s001