Works matching DE "ATOMIC models"

Results: 615

STRUCTURE PREDICTION OF HELICAL TRANSMEMBRANE PROTEINS AT TWO LENGTH SCALES.

Published in:

Journal of Bioinformatics & Computational Biology, 2006, v. 4, n. 2, p. 317, doi. 10.1142/S0219720006001965

By:

Zhong Chen;
Ying Xu

Publication type:

Article

Improving Molecular‐Dynamics Simulations for Solid–Liquid Interfaces with Machine‐Learning Interatomic Potentials.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 49, p. 1, doi. 10.1002/chem.202401373

By:

Hou, Pengfei;
Tian, Yumiao;
Meng, Xing

Publication type:

Article

Multi-scale modeling reveals microstructural and mechanical evolution in GH4169 and DD5 nickel-based superalloys during grinding.

Published in:

International Journal of Advanced Manufacturing Technology, 2024, v. 132, n. 3/4, p. 1391, doi. 10.1007/s00170-024-13419-9

By:

Chen, Minghui;
Cai, Ming;
Gong, Yadong;
Gong, Qiang;
Zhu, Tao;
Zhang, Minglei

Publication type:

Article

Microstructural and mechanical properties of Ti-Mo alloys designed by the cluster plus glue atom model for biomedical application.

Published in:

International Journal of Advanced Manufacturing Technology, 2020, v. 111, n. 5/6, p. 1237, doi. 10.1007/s00170-020-06208-7

By:

Moshokoa, Nthabiseng;
Raganya, Lerato;
Obadele, Babatunde Abiodun;
Machaka, Ronald;
Makhatha, Mamookho Elizabeth

Publication type:

Article

CMfgIA: a cloud manufacturing application mode for industry alliance.

Published in:

International Journal of Advanced Manufacturing Technology, 2018, v. 98, n. 9-12, p. 2967, doi. 10.1007/s00170-018-2476-x

By:

Zhang, Zhenjie;
Zhang, Yuanming;
Lu, Jiawei;
Xu, Xuesong;
Gao, Fei;
Xiao, Gang

Publication type:

Article

Optimal clustering for quantum refinement of biomolecular structures: Q|R#4.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 10, p. 1, doi. 10.1007/s00214-023-03046-0

By:

Wang, Yaru;
Kruse, Holger;
Moriarty, Nigel W.;
Waller, Mark P.;
Afonine, Pavel V.;
Biczysko, Malgorzata

Publication type:

Article

Molecular dynamics simulation of the Pb(II) coordination in biological media via cationic dummy atom models.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 2, p. 1, doi. 10.1007/s00214-021-02718-z

By:

Tolbatov, Iogann;
Marrone, Alessandro

Publication type:

Article

Comparative study of kilonova opacities for three elements of the sixth period (hafnium, osmium, and gold) from new atomic structure calculations in Hf I–IV, Os I–IV, and Au I–IV.

Published in:

Astronomy & Astrophysics / Astronomie et Astrophysique, 2024, v. 687, p. 1, doi. 10.1051/0004-6361/202348919

By:

Ben Nasr, S.;
Carvajal Gallego, H.;
Deprince, J.;
Palmeri, P.;
Quinet, P.

Publication type:

Article

Numerical solutions to linear transfer problems of polarized radiation: III. Parallel preconditioned Krylov solver tailored for modeling PRD effects.

Published in:

Astronomy & Astrophysics / Astronomie et Astrophysique, 2022, v. 664, p. 1, doi. 10.1051/0004-6361/202243059

By:

Benedusi, Pietro;
Janett, Gioele;
Riva, Simone;
Krause, Rolf;
Belluzzi, Luca

Publication type:

Article

An atomistic model for stepped diamond growth.

Published in:

Nature, 1994, v. 372, n. 6506, p. 535, doi. 10.1038/372535a0

By:

Frenklach, Michael;
Skokov, Sergei

Publication type:

Article

Building-blocks of matter.

Published in:: Nature, 1994, v. 372, n. 6501, p. 20, doi. 10.1038/372020a0
Publication type:: Article

High charges.

Published in:: Nature, 1994, v. 370, n. 6489, p. 413, doi. 10.1038/370413c0
Publication type:: Article

Three-dimensional atomic model of F-actin decorated with Dictystelium myosin S1.

Published in:

Nature, 1993, v. 364, n. 6433, p. 171, doi. 10.1038/364171a0

By:

Schroder, Rasmus R.;
Manstein, Dietmar J.

Publication type:

Article

The Problem of the Equation of State of Refractory Metals in the Near-Critical Region.

Published in:

High Temperature, 2023, v. 61, n. 5, p. 595, doi. 10.1134/S0018151X23050176

By:

Shumikhin, A. S.

Publication type:

Article

A "User-Friendly" Three-Component Chemical Model of Nonideal Plasma.

Published in:

High Temperature, 2021, v. 59, n. 1, p. 1, doi. 10.1134/S0018151X21010089

By:

Khomkin, A. L.;
Shumikhin, A. S.

Publication type:

Article

Impact compression of alkali metals: Computer-aided simulation.

Published in:

High Temperature, 2013, v. 51, n. 5, p. 626, doi. 10.1134/S0018151X13040019

By:

Belashchenko, D.

Publication type:

Article

Reactive Molecular Dynamics in Ionic Liquids: A Review of Simulation Techniques and Applications.

Published in:

Liquids (2673-8015), 2025, v. 5, n. 1, p. 8, doi. 10.3390/liquids5010008

By:

Gődény, Márta;
Schröder, Christian

Publication type:

Article

De repente online: uma proposta de ensino de química com as ferramentas tecnológicas.

Published in:

Diversitas Journal, 2023, v. 8, n. 1, p. 262, doi. 10.48017/dj.v8i1.2394

By:

Dantas Bernardo OLIVEIRA, Darlei Gutierrez;
SILVA, Everton Vieira;
Mabson Henrique LOPES, Francisco Antônio;
Abreu ALVES, Winício de;
DUARTE, Yara Natane

Publication type:

Article

Дискретно-континуальная и континуально-моментная модели графена для общего случая его деформирования

Published in:: National Academy of Sciences of Armenia Reports / Doklady Nacionalnaâ Akademiâ Nauk Armenii, 2020, v. 120, n. 2, p. 124
Publication type:: Article

Дискретная и континуальная (микрополярная) «стержневая» модели атомной цепочки нанокристаллического материала

Published in:

National Academy of Sciences of Armenia Reports / Doklady Nacionalnaâ Akademiâ Nauk Armenii, 2019, v. 119, n. 1, p. 40

By:

Саркисян, С. О.

Publication type:

Article

Tonal Interface to MacroMolecules (TIMMoI).

Published in:

Biochemistry & Molecular Biology Education, 2008, v. 36, n. 3, p. 203, doi. 10.1002/bmb.20183

By:

Cordes, Timothy J.;
Carlson, C. Britt;
Forest, Katrina T.

Publication type:

Article

Statistical Model for Quasicontinuum of Heavy Ions in Hot Plasma.

Published in:

Plasma Physics Reports, 2020, v. 46, n. 3, p. 241, doi. 10.1134/S1063780X20030046

By:

Demura, A. V.;
Leontyev, D. S.;
Lisitsa, V. S.;
Shurygin, V. A.

Publication type:

Article

Features of the chemical models of a nonideal atomic plasma at high temperatures.

Published in:

Plasma Physics Reports, 2008, v. 34, n. 3, p. 251, doi. 10.1134/S1063780X08030136

By:

Khomkin, A. L.;
Shumikhin, A. S.

Publication type:

Article

Life in Picoseconds.

Published in:: 2017
Publication type:: Exhibition Review

Statistical Mixture of Kaleidoscope States Interacting with a Two-Level Atom: Entropy and Purification.

Published in:

Photonics, 2023, v. 10, n. 2, p. 150, doi. 10.3390/photonics10020150

By:

Anaya-Contreras, Jorge A.;
Zúñiga-Segundo, Arturo;
Moya-Cessa, Héctor M.

Publication type:

Article

Origin of unintentional gallium incorporation into AlN spacer layer grown by metalorganic vapor phase epitaxy.

Published in:

Physica Status Solidi (B), 2017, v. 254, n. 2, p. n/a, doi. 10.1002/pssb.201600496

By:

Yamada, Atsushi;
Ishiguro, Tetsuro;
Kotani, Junji;
Tomabechi, Shuichi;
Nakamura, Norikazu

Publication type:

Article

ANALYSIS OF THE EFFECTS OF ALLOYING WITH Si AND Cr ON THE PROPERTIES OF MANGANESE AUSTENITE BASED ON AB INITIO MODELLING.

Published in:

Eastern-European Journal of Enterprise Technologies, 2020, v. 108, n. 12, p. 28, doi. 10.15587/1729-4061.2020.217281

By:

Prysyazhnyuk, P.;
Shlapak, L.;
Semyanyk, I.;
Kotsyubynsky, V.;
Troshchuk, L.;
Korniy, S.;
Artym, V.

Publication type:

Article

Two heterozygous mutations in the calcium/calmodulin‐dependent serine protein kinase gene (CASK) in cases with developmental disorders.

Published in:

Molecular Genetics & Genomic Medicine, 2022, v. 10, n. 11, p. 1, doi. 10.1002/mgg3.2065

By:

Yang, Kunfang;
Lin, Longlong;
Yuan, Fang;
Li, Xiaoguang;
Liu, Zhiping;
Lan, Xiaoping;
Wang, Yilin;
Ren, Yun;
Li, Jiaoyan;
Chen, Yucai

Publication type:

Article

Studying the hydrogen atom position in the strong-short intermolecular hydrogen bond of pure and 5-substituted 9-hydroxyphenalenones by invariom refinement and ONIOM cluster computations.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2021, v. 236, n. 6/7, p. 225, doi. 10.1515/zkri-2020-0022

By:

Gruber, Irina;
Bensch, Lisa;
Müller, Thomas J. J.;
Janiak, Christoph;
Dittrich, Birger

Publication type:

Article

Studying the hydrogen atom position in the strong-short intermolecular hydrogen bond of pure and 5-substituted 9-hydroxyphenalenones by invariom refinement and ONIOM cluster computations.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2020, p. 225, doi. 10.1515/zkri-2020-0022

By:

Gruber, Irina;
Bensch, Lisa;
Müller, Thomas J. J.;
Janiak, Christoph;
Dittrich, Birger

Publication type:

Article

МОДЕЛЮВАННЯ ВПЛИВУ ПІДСИСТЕМ ВИМІРЮВАННЯ Й КЕРУВАННЯ НА ФУНКЦІОНУВАННЯ АТОМАРНИХ АНТРОПОТЕХНІЧНИХ СИСТЕМ

Published in:

Economics: Time Realities, 2019, n. 6, p. 178, doi. 10.5281/zenodo.3878799

By:

О. С., Телепнєва

Publication type:

Article

Diffusion probabilistic models enhance variational autoencoder for crystal structure generative modeling.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-51400-4

By:

Pakornchote, Teerachote;
Choomphon-anomakhun, Natthaphon;
Arrerut, Sorrjit;
Atthapak, Chayanon;
Khamkaeo, Sakarn;
Chotibut, Thiparat;
Bovornratanaraks, Thiti

Publication type:

Article

Publisher Correction: Particle fusion of super-resolution data reveals the unit structure of Nup96 in Nuclear Pore Complex.

Published in:

2023

By:

Wang, Wenxiu;
Jakobi, Arjen;
Wu, Yu‑Le;
Ries, Jonas;
Stallinga, Sjoerd;
Rieger, Bernd

Publication type:

Correction Notice

Publisher Correction: Particle fusion of super-resolution data reveals the unit structure of Nup96 in Nuclear Pore Complex.

Published in:

2023

By:

Wang, Wenxiu;
Jakobi, Arjen;
Wu, Yu‑Le;
Ries, Jonas;
Stallinga, Sjoerd;
Rieger, Bernd

Publication type:

Correction Notice

Computational methods for in situ structural studies with cryogenic electron tomography.

Published in:

Frontiers in Cellular & Infection Microbiology, 2023, p. 1, doi. 10.3389/fcimb.2023.1135013

By:

Cuicui Zhao;
Da Lu;
Qian Zhao;
Chongjiao Ren;
Huangtao Zhang;
Jiaqi Zhai;
Jiaxin Gou;
Shilin Zhu;
Yaqi Zhang;
Xinqi Gong

Publication type:

Article

Efficient control of three-dimensional atom localization via probe absorption in a phase-coherent atomic medium.

Published in:

Applied Physics B: Lasers & Optics, 2024, v. 130, n. 8, p. 1, doi. 10.1007/s00340-024-08278-x

By:

Banerjee, Aniket;
Panchadhyayee, Pradipta;
Dutta, Bibhas Kumar

Publication type:

Article

Regge trajectories for heavy quarkonia from the quadratic form of the spinless Salpeter-type equation.

Published in:

European Physical Journal C -- Particles & Fields, 2018, v. 78, n. 3, p. 1, doi. 10.1140/epjc/s10052-018-5718-z

By:

Chen, Jiao-Kai

Publication type:

Article

Modelling atomic and nanoscale structure in the silicon–oxygen system through active machine learning.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-45840-9

By:

Erhard, Linus C.;
Rohrer, Jochen;
Albe, Karsten;
Deringer, Volker L.

Publication type:

Article

Accurate global and local 3D alignment of cryo-EM density maps using local spatial structural features.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-45861-4

By:

He, Bintao;
Zhang, Fa;
Feng, Chenjie;
Yang, Jianyi;
Gao, Xin;
Han, Renmin

Publication type:

Article

Accurate global and local 3D alignment of cryo-EM density maps using local spatial structural features.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-45861-4

By:

He, Bintao;
Zhang, Fa;
Feng, Chenjie;
Yang, Jianyi;
Gao, Xin;
Han, Renmin

Publication type:

Article

Cryo-EM structure and B-factor refinement with ensemble representation.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-023-44593-1

By:

Beton, Joseph G.;
Mulvaney, Thomas;
Cragnolini, Tristan;
Topf, Maya

Publication type:

Article

Nearly complete structure of bacteriophage DT57C reveals architecture of head-to-tail interface and lateral tail fibers.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-43824-9

By:

Ayala, Rafael;
Moiseenko, Andrey V.;
Chen, Ting-Hua;
Kulikov, Eugene E.;
Golomidova, Alla K.;
Orekhov, Philipp S.;
Street, Maya A.;
Sokolova, Olga S.;
Letarov, Andrey V.;
Wolf, Matthias

Publication type:

Article

Structure of a heteropolymeric type 4 pilus from a monoderm bacterium.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-42872-5

By:

Anger, Robin;
Pieulle, Laetitia;
Shahin, Meriam;
Valette, Odile;
Le Guenno, Hugo;
Kosta, Artemis;
Pelicic, Vladimir;
Fronzes, Rémi

Publication type:

Article

Structural insights into RNA bridging between HIV-1 Vif and antiviral factor APOBEC3G.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-39796-5

By:

Kouno, Takahide;
Shibata, Satoshi;
Shigematsu, Megumi;
Hyun, Jaekyung;
Kim, Tae Gyun;
Matsuo, Hiroshi;
Wolf, Matthias

Publication type:

Article

Atomic model for core modifying region of human fatty acid synthase in complex with Denifanstat.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-39266-y

By:

Hasan, S. M. Naimul;
Lou, Jennifer W.;
Keszei, Alexander F. A.;
Dai, David L.;
Mazhab-Jafari, Mohammad T.

Publication type:

Article

The in-tissue molecular architecture of β-amyloid pathology in the mammalian brain.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-38495-5

By:

Leistner, Conny;
Wilkinson, Martin;
Burgess, Ailidh;
Lovatt, Megan;
Goodbody, Stanley;
Xu, Yong;
Deuchars, Susan;
Radford, Sheena E.;
Ranson, Neil A.;
Frank, René A. W.

Publication type:

Article

Structural analysis and architectural principles of the bacterial amyloid curli.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-38204-2

By:

Sleutel, Mike;
Pradhan, Brajabandhu;
Volkov, Alexander N.;
Remaut, Han

Publication type:

Article

The cross-slip energy unresolved.

Published in:

Philosophical Magazine Letters, 2009, v. 89, n. 8, p. 505, doi. 10.1080/09500830903092399

By:

Schoeck, Gunther

Publication type:

Article

Structure of Al-Co-Ni pentagonal quasicrystal studied by HAADF-STEM and ab initio calculations.

Published in:

Philosophical Magazine Letters, 2008, v. 88, n. 7, p. 519, doi. 10.1080/09500830802272050

By:

Song, S.;
Wang, J.;
Wang, R.;
Xiong, D.;
Zhao, D.;
Gui, J.;
Liu, H.;
Yan, Y.

Publication type:

Article

Dissociation of screw dislocations in (001) low-angle twist boundaries: a source of the 30 o partial dislocations in silicon.

Published in:

Philosophical Magazine Letters, 1999, v. 79, n. 8, p. 531, doi. 10.1080/095008399176896

By:

Belov, A. Yu.;
Scholz, R.;
Scheerschmidt, K.

Publication type:

Article