Works matching Molecular models

Results: 5000

A virtual alternative to molecular model sets: a beginners' guide to constructing and visualizing molecules in open-source molecular graphics software.

Published in:

BMC Research Notes, 2021, v. 14, n. 1, p. 1, doi. 10.1186/s13104-021-05461-7

By:

Phankingthongkum, Siripreeya;
Limpanuparb, Taweetham

Publication type:

Article

MOLECULAR MODEL AND ITS SIMPLIFICATION IN TEACHING STEREOISOMERISM AT UNDERGRADUATE LEVEL.

Published in:

Natural Science & Advanced Technology Education, 2021, v. 30, n. 5, p. 470, doi. 10.53656/nat2021-5.03

By:

Singh, Girija Shankar

Publication type:

Article

Molecular models of unlike interactions in fluid mixtures.

Published in:

Molecular Simulation, 2005, v. 31, n. 4, p. 215, doi. 10.1080/08927020412331332776

By:

Vrabec, Jadran;
Stoll, Jürgen;
Hasse, Hans

Publication type:

Article

Diagnostic accuracy assessment of molecular prediction model for the risk of NAFLD based on MRI-PDFF diagnosed Chinese Han population.

Published in:

2021

By:

Zhang, Qing;
Zhu, Yueli;
Yu, Wanjiang;
Xu, Zhipeng;
Zhao, Zhenzhen;
Liu, Shousheng;
Xin, Yongning;
Lv, Kuirong

Publication type:

journal article

Chemistry Teacher Trainees' use of Molecular Models in Learning Spiro and Bicyclic Compounds.

Published in:

Science Education International, 2022, v. 33, n. 3, p. 291, doi. 10.33828/sei.v33.i3.4

By:

Quayson, Claudia;
Kwarteng, Twumasi Ankrah;
Koranteng, Ernest;
Hanson, Ruby

Publication type:

Article

Molecular models of the Mojave rattlesnake ( Crotalus scutulatus scutulatus) venom metalloproteinases reveal a structural basis for differences in hemorrhagic activities.

Published in:

Journal of Biological Physics, 2014, v. 40, n. 2, p. 193, doi. 10.1007/s10867-013-9339-3

By:

Dagda, Ruben;
Gasanov, Sardar;
Zhang, Boris;
Welch, William;
Rael, Eppie

Publication type:

Article

Selection of Representative Asphaltene Molecules in an Asphalt Molecular Model Based on Quantum Chemistry and Statistical Analysis.

Published in:

Molecules, 2024, v. 29, n. 24, p. 6015, doi. 10.3390/molecules29246015

By:

Zhu, Jie;
Xia, Ganyu;
Shen, Dejian;
Li, Yangtao;
Jin, Baosheng;
Wu, Shengxing

Publication type:

Article

Comparison of molecular models of carbon monoxide for calculation of vapor-liquid equilibrium.

Published in:

Revista Facultad de Ingeniería Universidad de Antioquia, 2015, n. 75, p. 143, doi. 10.17533/udea.redin.n75a14

By:

Hoyos-Madrigal, Bibian Alonso;
Chejne-Janna, Farid

Publication type:

Article

EnGCI: enhancing GPCR-compound interaction prediction via large molecular models and KAN network.

Published in:

BMC Biology, 2025, v. 23, n. 1, p. 1, doi. 10.1186/s12915-025-02238-3

By:

Liu, Weihao;
Li, Xiaoli;
Hang, Bo;
Wang, Pu

Publication type:

Article

Novel immune–risk score of gastric cancer: A molecular prediction model combining the value of immune–risk status and chemosensitivity.

Published in:

Cancer Medicine, 2019, v. 8, n. 5, p. 2675, doi. 10.1002/cam4.2077

By:

Duan, Shijie;
Wang, Pengliang;
Liu, Funan;
Huang, Hanwei;
An, Wen;
Pan, Siwei;
Wang, Xin

Publication type:

Article

Comparative Study on Enzyme Immobilization Using Natural Hydrogel Matrices—Experimental Studies Supported by Molecular Models Analysis.

Published in:

Catalysts (2073-4344), 2020, v. 10, n. 5, p. 489, doi. 10.3390/catal10050489

By:

Labus, Karolina;
Wolanin, Kamila;
Radosiński, Łukasz

Publication type:

Article

Molecular model and ReaxFF molecular dynamics simulation of coal vitrinite pyrolysis.

Published in:

Journal of Molecular Modeling, 2015, v. 21, n. 8, p. 1, doi. 10.1007/s00894-015-2738-6

By:

Li, Wu;
Zhu, Yan-ming;
Wang, Geoff;
Wang, Yang;
Liu, Yu

Publication type:

Article

Iron Silicates, Iron-Modulated Zeolite Catalysts, and Molecular Models Thereof.

Published in:

Chemistry - A European Journal, 2014, v. 20, n. 30, p. 9166, doi. 10.1002/chem.201402826

By:

Pinkert, Denise;
Limberg, Christian

Publication type:

Article

Experiments and 3D Molecular Model Construction of Lignite under Different Modification Treatment.

Published in:

Processes, 2020, v. 8, n. 4, p. 399, doi. 10.3390/pr8040399

By:

Liu, Jihui;
Qiu, Shuang;
He, Zhijun;
Yu, Yaowei

Publication type:

Article

Construction of Molecular Model and Adsorption of Collectors on Bulianta Coal.

Published in:

Molecules, 2020, v. 25, n. 17, p. 4030, doi. 10.3390/molecules25174030

By:

Zhang, He;
Xi, Peng;
Zhuo, Qiming;
Liu, Wenli;
Alfonso-Prieto, Mercedes

Publication type:

Article

Molecular models and mutational analyses of plant specifier proteins suggest active site residues and reaction mechanism.

Published in:

Plant Molecular Biology, 2014, v. 84, n. 1-2, p. 173, doi. 10.1007/s11103-013-0126-0

By:

Brandt, Wolfgang;
Backenköhler, Anita;
Schulze, Eva;
Plock, Antje;
Herberg, Thomas;
Roese, Elin;
Wittstock, Ute

Publication type:

Article

Molecular model for neuroendocrine prostate cancer progression.

Published in:

BJU International, 2018, v. 122, n. 4, p. 560, doi. 10.1111/bju.14207

By:

Chen, Ruiqi;
Dong, Xuesen;
Gleave, Martin

Publication type:

Article

Body fat measurement in adolescent athletes: multicompartment molecular model comparison.

Published in:

European Journal of Clinical Nutrition, 2006, v. 60, n. 8, p. 955, doi. 10.1038/sj.ejcn.1602405

By:

Silva, A. M.;
Minderico, C. S.;
Teixeira, P. J.;
Pietrobelli, A.;
Sardinha, L. B.

Publication type:

Article

Brico-moléculas: preparación de modelos moleculares a partir de la fórmula dibujada.

Published in:

RED - Revista de Educación a Distancia, 2012, n. 30, p. 1

By:

Herráez, Ángel

Publication type:

Article

Building molecular model series from heterogeneous CryoEM structures using Gaussian mixture models and deep neural networks.

Published in:

Communications Biology, 2025, v. 8, n. 1, p. 1, doi. 10.1038/s42003-025-08202-9

By:

Chen, Muyuan

Publication type:

Article

Selling a Theory: The Role of Molecular Models in J. H. van 't Hoff's Stereochemistry Theory.

Published in:

Annals of Science, 2006, v. 63, n. 2, p. 157, doi. 10.1080/00033790500480816

By:

van der Spek, TrienkeM.

Publication type:

Article

Dispositions in the Kitchen: Towards a Metaphysical Model for Molecular Gastronomy.

Published in:

Humana Mente, 2020, v. 13, n. 38, p. 21

By:

Donati, Donatella

Publication type:

Article

Distinct Phenotypes of Native Cutthroat Trout Emerge under a Molecular Model of Lineage Distributions.

Published in:

Transactions of the American Fisheries Society, 2019, v. 148, n. 2, p. 442, doi. 10.1002/tafs.10145

By:

Bestgen, Kevin R.;
Rogers, Kevin B.;
Granger, Robert

Publication type:

Article

MAKING THE MOLECULAR MODELS FROM EASILY OBTAINABLE MATERIALS.

Published in:

Journal of Turkish Educational Sciences, 2007, v. 5, n. 3, p. 538

By:

Sarikiya, Mustafa

Publication type:

Article

An optimised molecular model for ammonia.

Published in:

Molecular Physics, 2008, v. 106, n. 8, p. 1039, doi. 10.1080/00268970802112137

By:

Eckl, Bernhard;
Vrabec, Jadran;
Hasse, Hans

Publication type:

Article

Research on car-following model based on molecular dynamics.

Published in:

Advances in Mechanical Engineering (Sage Publications Inc.), 2021, v. 13, n. 2, p. 1, doi. 10.1177/1687814021993003

By:

Jia, Yanfeng;
Qu, Dayi;
Han, Lewei;
Lin, Lu;
Hong, Jiale

Publication type:

Article

Modified COSMO‐UNIFAC model for ionic liquid–CO<sub>2</sub> systems and molecular dynamic simulation.

Published in:

AIChE Journal, 2022, v. 68, n. 7, p. 1, doi. 10.1002/aic.17724

By:

Zhu, Ruisong;
Gui, Chengmin;
Li, Guoxuan;
Lei, Zhigang

Publication type:

Article

Engineering Molecular Models: Efficient Parameterization Procedure and Cyclohexanol as Case Study.

Published in:

Soft Materials, 2012, v. 10, n. 1-3, p. 3, doi. 10.1080/1539445X.2011.599695

By:

Merker, Thorsten;
Vrabec, Jadran;
Hasse, Hans

Publication type:

Article

Rational, Hierarchical Parameterization of Complex Zeolite-guest Molecular Models.

Published in:

Molecular Simulation, 2004, v. 30, n. 9, p. 561, doi. 10.1080/08927020410001717245

By:

Snyder, M.A.;
Vlachos, D.G.

Publication type:

Article

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models.

Published in:

Frontiers in Pharmacology, 2020, v. 11, p. N.PAG, doi. 10.3389/fphar.2020.565644

By:

Polykovskiy, Daniil;
Zhebrak, Alexander;
Sanchez-Lengeling, Benjamin;
Golovanov, Sergey;
Tatanov, Oktai;
Belyaev, Stanislav;
Kurbanov, Rauf;
Artamonov, Aleksey;
Aladinskiy, Vladimir;
Veselov, Mark;
Kadurin, Artur;
Johansson, Simon;
Chen, Hongming;
Nikolenko, Sergey;
Aspuru-Guzik, Alán;
Zhavoronkov, Alex

Publication type:

Article

THE EFFECT OF STUDENT MANIPULATION OF MOLECULAR MODELS ON CHEMISTRY ACHIEVEMENT ACCORDING TO PIAGETIAN LEVEL.

Published in:

Journal of Research in Science Teaching, 1980, v. 17, n. 1, p. 75, doi. 10.1002/tea.3660170112

By:

Gabel, Dorothy;
Sherwood, Robert

Publication type:

Article

Comparative Sequence and Structural Analyses of G-Protein-Coupled Receptor Crystal Structures and Implications for Molecular Models.

Published in:

PLoS ONE, 2009, v. 4, n. 9, p. 1, doi. 10.1371/journal.pone.0007011

By:

Worth, Catherine L.;
Kleinau, Gunnar;
Krause, Gerd

Publication type:

Article

Where memory resides: Is there a rivalry between molecular and synaptic models of memory?

Published in:

Philosophy of Science, 2024, v. 91, n. 5, p. 1382, doi. 10.1017/psa.2023.126

By:

Colaço, David;
Najenson, Jonathan

Publication type:

Article

Atomistic Construction of Silicon Nitride Ceramic Fiber Molecular Model and Investigation of Its Mechanical Properties Based on Molecular Dynamics Simulations.

Published in:

Materials (1996-1944), 2023, v. 16, n. 18, p. 6082, doi. 10.3390/ma16186082

By:

Hong, Yiqiang;
Zhu, Yu;
Du, Youpei;
Che, Zhe;
Qu, Guoxin;
Li, Qiaosheng;
Yuan, Tingting;
Yang, Wei;
Dai, Zhen;
Han, Weijian;
Ma, Qingsong

Publication type:

Article

Equilibrium, interfacial and transport properties of n-alkanes: Towards the simplest coarse grained molecular model.

Published in:

Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers Part A, 2014, v. 92, n. 12, p. 3031, doi. 10.1016/j.cherd.2014.05.028

By:

Galliero, Guillaume

Publication type:

Article

Molecular models and scientific realism.

Published in:

Foundations of Chemistry, 2020, v. 22, n. 3, p. 467, doi. 10.1007/s10698-020-09363-7

By:

García Zerecero, Gabriela

Publication type:

Article

Investigation of DNA denaturation in Peyrard-Bishop-Dauxois model by molecular dynamics method.

Published in:

European Physical Journal B: Condensed Matter, 2019, v. 92, n. 11, p. N.PAG, doi. 10.1140/epjb/e2019-90741-6

By:

Likhachev, Ilya Viatcheslavovitch;
Lakhno, Victor Dmitrievitch

Publication type:

Article

A computational model for molecular interactions between curved slender fibers undergoing large 3D deformations with a focus on electrostatic, van der Waals, and repulsive steric forces.

Published in:

International Journal for Numerical Methods in Engineering, 2020, v. 121, n. 10, p. 2285, doi. 10.1002/nme.6309

By:

Grill, Maximilian J.;
Wall, Wolfgang A.;
Meier, Christoph

Publication type:

Article

Automated inference of Boolean models from molecular interaction maps using CaSQ.

Published in:

Bioinformatics, 2020, v. 36, n. 16, p. 4473, doi. 10.1093/bioinformatics/btaa484

By:

Aghamiri, Sara Sadat;
Singh, Vidisha;
Naldi, Aurélien;
Helikar, Tomáš;
Soliman, Sylvain;
Niarakis, Anna

Publication type:

Article

An introductory classroom exercise on protein molecular model visualization and detailed analysis of protein-ligand binding.

Published in:

Biochemistry & Molecular Biology Education, 2013, v. 41, n. 2, p. 118, doi. 10.1002/bmb.20685

By:

Poeylaut‐Palena Andrés, A.;
Laborde, María

Publication type:

Article

Anomalous Diffusion with an Apparently Negative Diffusion Coefficient in a One-Dimensional Quantum Molecular Chain Model.

Published in:

Symmetry (20738994), 2021, v. 13, n. 3, p. 506, doi. 10.3390/sym13030506

By:

Nakade, Sho;
Kanki, Kazuki;
Tanaka, Satoshi;
Petrosky, Tomio;
Licata, Ignazio;
Passante, Roberto

Publication type:

Article

J-GAIN v1.1: a flexible tool to incorporate aerosol formation rates obtained by molecular models into large-scale models.

Published in:

Geoscientific Model Development, 2023, v. 16, n. 17, p. 5237, doi. 10.5194/gmd-16-5237-2023

By:

Yazgi, Daniel;
Olenius, Tinja

Publication type:

Article

An agent-based model of molecular aggregation at the cell membrane.

Published in:

PLoS ONE, 2020, v. 15, n. 2, p. 1, doi. 10.1371/journal.pone.0226825

By:

Griffié, Juliette;
Peters, Ruby;
Owen, Dylan M.

Publication type:

Article

Benchmarking and optimization of molecular simulation models of zinc dialkyldithiophosphate and calcium sulfonate oil additives.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 4, p. N.PAG, doi. 10.1007/s00894-019-3980-0

By:

Ectors, Philipp;
Zahn, Dirk

Publication type:

Article

Docking of An Asphaltene Molecular Model on A Fe2O3 Surface, An Ab Initio Simulated Annealing.

Published in:

Petroleum Science & Technology, 2004, v. 22, n. 7/8, p. 915, doi. 10.1081/LFT-120038694

By:

Alvarez-Ramírez, F.;
García-Cruz, I.;
Tavizón, G.;
Martínez-Magadán, J. M.

Publication type:

Article

Novel QSAR Models for Molecular Initiating Event Modeling in Two Intersecting Adverse Outcome Pathways Based Pulmonary Fibrosis Prediction for Biocidal Mixtures.

Published in:

Toxics, 2021, v. 9, n. 3, p. 59, doi. 10.3390/toxics9030059

By:

Seo, Myungwon;
Chae, Chong Hak;
Lee, Yuno;
Kim, Ha Ryong;
Kim, Jongwoon;
Nadal, Martí

Publication type:

Article

Transcriptomic Analysis of a Diabetic Skin-Humanized Mouse Model Dissects Molecular Pathways Underlying the Delayed Wound Healing Response.

Published in:

Genes, 2021, v. 12, n. 1, p. 47, doi. 10.3390/genes12010047

By:

León, Carlos;
García-García, Francisco;
Llames, Sara;
García-Pérez, Eva;
Carretero, Marta;
Arriba, María del Carmen;
Dopazo, Joaquín;
del Río, Marcela;
Escámez, María José;
Martínez-Santamaría, Lucía

Publication type:

Article

Comparative Analysis of Mouse Decidualization Models at the Molecular Level.

Published in:

Genes, 2020, v. 11, n. 8, p. 935, doi. 10.3390/genes11080935

By:

Wang, Chong;
Zhao, Miao;
Zhang, Wen-Qian;
Huang, Ming-Yu;
Zhu, Can;
He, Jia-Peng;
Liu, Ji-Long

Publication type:

Article

Molecular Models of STAT5A Tetramers Complexed to DNA Predict Relative Genome-Wide Frequencies of the Spacing between the Two Dimer Binding Motifs of the Tetramer Binding Sites.

Published in:

PLoS ONE, 2016, v. 11, n. 8, p. 1, doi. 10.1371/journal.pone.0160339

By:

Sathyanarayana, Bangalore K.;
Li, Peng;
Lin, Jian-Xin;
Leonard, Warren J.;
Lee, Byungkook

Publication type:

Article

A molecular model for ion dehydration in confined water.

Published in:

AIChE Journal, 2020, v. 66, n. 6, p. 1, doi. 10.1002/aic.16938

By:

Qing, Leying;
Tao, Jiabo;
Yu, Hongping;
Jiang, Peng;
Qiao, Chongzhi;
Zhao, Shuangliang;
Liu, Honglai

Publication type:

Article