Works about MOLECULAR models

Results: 2596

Circular RNA‐Based Molecular Computation Enhances Plasma Biomarker Detection in Biliary Tract Cancer.

Published in:

Angewandte Chemie, 2025, v. 137, n. 26, p. 1, doi. 10.1002/ange.202505289

By:

Yang, Yunben;
Lv, Wenyi;
Shao, Yongfu;
Xu, Chunjing;
Feng, Yawei;
Huang, Yihui;
Yao, Yinye;
Ying, Jieer;
Peng, Ruizi;
Han, Da

Publication type:

Article

Tumor Microenvironment‐Responsive Polymer Delivery Platforms for Cancer Therapy.

Published in:

Angewandte Chemie, 2025, v. 137, n. 26, p. 1, doi. 10.1002/ange.202503776

By:

Shi, Yiqi;
Yu, Qianqian;
Tan, Lijie;
Wang, Qi;
Zhu, Wei‐Hong

Publication type:

Article

A Kinematics Based Evolutionary Approach for Molecular Conformational Search.

Published in:

Computer-Aided Design & Applications, 2011, v. 8, n. 1, p. 23, doi. 10.3722/cadaps.2011.23-36

By:

Brintaki, Athina N.;
Lai-Yuen, Susana K.;
Nikolos, Ioannis K.

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

Gamma radiolytically synthesized phosphate decorated gold nanoparticles for ultra-trace level detection of U(VI) in water.

Published in:

Discover Nano, 2025, v. 20, n. 1, p. 1, doi. 10.1186/s11671-025-04275-x

By:

Misra, Nilanjal;
Rawat, Swarnima;
Shelkar, Shubhangi A.;
Ghosh, Ayan;
Kumar, Sanjay;
Kumar, Virendra

Publication type:

Article

Coarse‐Grained DNA Models: Bridging Scales Through Extended Dynamics.

Published in:

WIREs: Computational Molecular Science, 2025, v. 15, n. 3, p. 1, doi. 10.1002/wcms.70028

By:

Soñora, Martín;
Silva Santos, Lucianna Helene;
Alba, Antonella;
Ballesteros‐Casallas, Andrés;
Pantano, Sergio

Publication type:

Article

Recent Advances in Enzyme‐Mediated Rolling Circle Replication Technology Empowering Virus Detection.

Published in:

Chinese Journal of Chemistry, 2025, v. 43, n. 13, p. 1587, doi. 10.1002/cjoc.70002

By:

Du, Meijing;
Liu, Juncheng;
Teng, Guangshuai;
Shi, Feng;
Dong, Yuhang;
Li, Feng

Publication type:

Article

The Role of miRNA Expression in Congenital Heart Disease: Insights into the Mechanisms and Biomarker Potential.

Published in:

Children, 2025, v. 12, n. 5, p. 611, doi. 10.3390/children12050611

By:

Mannarino, Savina;
Calcaterra, Valeria;
Puricelli, Filippo;
Cecconi, Giulia;
Chillemi, Claudia;
Raso, Irene;
Cordaro, Erika;
Zuccotti, Gianvincenzo

Publication type:

Article

From Sequence Definition to Structure‐Property Relationships in Discrete Synthetic Macromolecules: Insights from Molecular Modeling.

Published in:

Angewandte Chemie, 2025, v. 137, n. 23, p. 1, doi. 10.1002/ange.202420179

By:

Dellemme, David;
Kardas, Sinan;
Tonneaux, Corentin;
Lernould, Julien;
Fossépré, Mathieu;
Surin, Mathieu

Publication type:

Article

Translational arrest by a prokaryotic signal recognition particle is mediated by RNA interactions.

Published in:

Nature Structural & Molecular Biology, 2015, v. 22, n. 10, p. 767, doi. 10.1038/nsmb.3086

By:

Beckert, Bertrand;
Kedrov, Alexej;
Sohmen, Daniel;
Kempf, Georg;
Wild, Klemens;
Sinning, Irmgard;
Stahlberg, Henning;
Wilson, Daniel N;
Beckmann, Roland

Publication type:

Article

Implications of molecular heterogeneity for the cooperativity of biological macromolecules.

Published in:

Nature Structural & Molecular Biology, 2011, v. 18, n. 6, p. 732, doi. 10.1038/nsmb.2052

By:

Solomatin, Sergey V.;
Greenfeld, Max;
Herschlag, Daniel

Publication type:

Article

NMR structure of chaperone Chz1 complexed with histones H2A.Z-H2B.

Published in:

Nature Structural & Molecular Biology, 2008, v. 15, n. 8, p. 868, doi. 10.1038/nsmb.1465

By:

Zhou, Zheng;
Feng, Hanqiao;
Hansen, D Flemming;
Kato, Hidenori;
Luk, Ed;
Freedberg, Daron I;
Kay, Lewis E;
Wu, Carl;
Bai, Yawen

Publication type:

Article

Synthesis and properties of supramolecular gels based on tetrathiafulvalene and cyanobiphenyl units.

Published in:

Soft Materials, 2021, v. 19, n. 2, p. 243, doi. 10.1080/1539445X.2020.1821380

By:

Ma, Lina;
Wang, Li;
Bai, Yongqi;
Xia, Yan;
Li, Dongfeng;
Yin, Bingzhu;
Hou, Ruibin

Publication type:

Article

Data-driven uncertainty quantification for systematic coarse-grained models.

Published in:

Soft Materials, 2020, v. 18, n. 2/3, p. 348, doi. 10.1080/1539445X.2020.1765803

By:

Jin, Tangxin;
Chazirakis, Anthony;
Kalligiannaki, Evangelia;
Harmandaris, Vagelis;
Katsoulakis, Markos A.

Publication type:

Article

The performance of Dunning, Jensen, and Karlsruhe basis sets on computing relative energies and geometries.

Published in:

Soft Materials, 2020, v. 18, n. 2/3, p. 200, doi. 10.1080/1539445X.2020.1714656

By:

Kirschner, Karl N.;
Reith, Dirk;
Heiden, Wolfgang

Publication type:

Article

Correction.

Published in:: 2019
Publication type:: Correction Notice

Macroscopic mechanical properties of elastomer nano-composites via molecular and analytical modelling.

Published in:

Soft Materials, 2018, v. 16, n. 4, p. 315, doi. 10.1080/1539445X.2018.1518243

By:

Hentschke, Reinhard

Publication type:

Article

Ordering minimalist bridged polysilsesquioxane films under visible LED light irradiation.

Published in:

Soft Materials, 2017, v. 15, n. 2, p. 196, doi. 10.1080/1539445X.2017.1308380

By:

Ni, Lingli;
Wu, Mei;
Chen, Feng;
Deroche, Irena;
Chemtob, Abraham

Publication type:

Article

Oxygen Transport in Amino-Functionalized Polyhedral Oligomeric Silsesquioxanes (POSS).

Published in:

Soft Materials, 2014, v. 12, n. 1, p. 113, doi. 10.1080/1539445X.2013.781037

By:

Neyertz, S.;
Gopalan, P.;
Brachet, P.;
Kristiansen, A.;
Männle, F.;
Brown, D.

Publication type:

Article

Modeling of Diffusion for Crystal Growth.

Published in:

Soft Materials, 2012, v. 10, n. 1-3, p. 257, doi. 10.1080/1539445X.2011.599715

By:

Yürüdü, Caner;
Jones, MatthewJ.;
Ulrich, Joachim

Publication type:

Article

Guest Editorial: Molecular Modeling and Simulation in Process and Materials Engineering.

Published in:

2012

By:

Keil, FrerichJ.;
Hasse, Hans

Publication type:

Editorial

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

Activity of Aluminium-Based Complexes in Olefin Polymerization. A Case of Breakdown of a Simple Picture to Rationalize Homogeneous Catalysis.

Published in:

Soft Materials, 2003, v. 1, n. 2, p. 205, doi. 10.1081/SMTS-120021737

By:

Meier, RobertJ.;
Koglin, Eckhard

Publication type:

Article

New biallelic mutations in PADI6 cause recurrent preimplantation embryonic arrest characterized by direct cleavage.

Published in:

Journal of Assisted Reproduction & Genetics, 2020, v. 37, n. 1, p. 205, doi. 10.1007/s10815-019-01606-7

By:

Zheng, Wei;
Chen, Longbin;
Dai, Jing;
Dai, Can;
Guo, Jing;
Lu, Changfu;
Gong, Fei;
Lu, Guangxiu;
Lin, Ge

Publication type:

Article

Inaccurate chemical structures of dyes and fluorochromes found in the literature can be problematic for teaching and research.

Published in:

Biotechnic & Histochemistry, 2011, v. 86, n. 1, p. 52, doi. 10.3109/10520295.2010.489428

By:

Stockert, JC;
Abasolo, MI

Publication type:

Article

Dye–tissue interactions: mechanisms, quantification and bonding parameters for dyes used in biological staining.

Published in:

Biotechnic & Histochemistry, 2005, v. 80, n. 2, p. 49, doi. 10.1080/10520290500219982

By:

Dapson, RW

Publication type:

Article

Surface modified silica gel for extraction of metal ions: an environment friendly method for waste treatment.

Published in:

Surface Engineering, 2005, v. 21, n. 3, p. 232, doi. 10.1179/174329405X50082

By:

Sharma, R. K.;
Mittal, S.;
Azami, S.;
Adholeya, A.

Publication type:

Article

The Study of the Mechanism of Binding of Human ML1A Melatonin Receptor Ligands Using Molecular Modeling.

Published in:

Doklady Biochemistry & Biophysics, 2004, v. 394, n. 1-6, p. 49, doi. 10.1023/B:DOBI.0000017154.54595.0e

By:

Ivanov, A. A.;
Voronkov, A. E.;
Baskin, I. I.;
Palyulin, V. A.;
Zefirov, N. S.

Publication type:

Article

Molecular Modeling of the Ligand-Binding Domains of the NR3A and NR3B Subunits of the NMDA Receptor.

Published in:

Doklady Biochemistry & Biophysics, 2003, v. 389, n. 1-6, p. 83, doi. 10.1023/A:1023627904698

By:

Belenikin, M. S.;
Costantino, G.;
Palyulin, V. A.;
Pellicciari, R.;
Zefirov, N. S.

Publication type:

Article

Molecular Modeling of the Human A2a Adenosine Receptor.

Published in:

Doklady Biochemistry & Biophysics, 2003, v. 389, n. 1-6, p. 94, doi. 10.1023/A:1023632005607

By:

Ivanov, A. A.;
Baskin, I. I.;
Palyulin, V. A.;
Zefirov, N. S.

Publication type:

Article

Molecular Modeling of the Closed Forms of the Kainate-Binding Domains of Kainate Receptors and Qualitative Analysis of the Structure–Activity Relationships for Some Agonists.

Published in:

Doklady Biochemistry & Biophysics, 2002, v. 386, n. 1-6, p. 239, doi. 10.1023/A:1020799209272

By:

Belenikin, M. S.;
Baskin, I. I.;
Costantino, G.;
Palyulin, V. A.;
Pellicciari, R.;
Zefirov, N. S.

Publication type:

Article

Computer Simulation of the Three-Dimensional Structure of the Glutamate Site of the NR2B Subunit of the NMDA Receptor.

Published in:

Doklady Biochemistry & Biophysics, 2002, v. 382, n. 1-6, p. 38, doi. 10.1023/A:1014407323940

By:

Tikhonova, I. G.;
Baskin, I. I.;
Palyulin, V. A.;
Zefirov, N. S.

Publication type:

Article

Tribological Performance of Polyetheretherketone and its Composites under Water Environment.

Published in:

Macromolecular Symposia, 2013, v. 327, n. 1, p. 108, doi. 10.1002/masy.201350513

By:

Mimaroglu, A.;
Unal, H.;
Ozel, A.

Publication type:

Article

Polyamine‐Functionalized 2′‐Amino‐LNA in Oligonucleotides: Facile Synthesis of New Monomers and High‐Affinity Binding towards ssDNA and dsDNA.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 4, p. 1416, doi. 10.1002/chem.202004495

By:

Danielsen, Mathias B.;
Christensen, Niels Johan;
Jørgensen, Per T.;
Jensen, Knud J.;
Wengel, Jesper;
Lou, Chenguang

Publication type:

Article

Comments on "Molecular Chirality in Classical Spacetime: Solving the Controversy about the Spinning Cone Model of Rotating Molecules".

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 4, p. 1476, doi. 10.1002/chem.202000427

By:

Barron, Laurence D.;
Cintas, Pedro

Publication type:

Article

Siloxyaluminate and Siloxygallate Complexes as Models for Framework and Partially Hydrolyzed Framework Sites in Zeolites and Zeotypes.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 1, p. 307, doi. 10.1002/chem.202002926

By:

Dombrowski, James P.;
Ziegler, Micah S.;
Phadke, Neelay M.;
Mansoor, Erum;
Levine, Daniel S.;
Witzke, Ryan J.;
Head‐Gordon, Martin;
Bell, Alexis T.;
Tilley, T. Don

Publication type:

Article

Cover Feature: Dynamic PdII/CuI Multimetallic Assemblies as Molecular Models to Study Metal–Metal Cooperation in Sonogashira Coupling (Chem. Eur. J. 53/2020).

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 53, p. 12082, doi. 10.1002/chem.202003331

By:

Rivada‐Wheelaghan, Orestes;
Comas‐Vives, Aleix;
Fayzullin, Robert R.;
Lledós, Agustí;
Khusnutdinova, Julia R.

Publication type:

Article

Dynamic PdII/CuI Multimetallic Assemblies as Molecular Models to Study Metal–Metal Cooperation in Sonogashira Coupling.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 53, p. 12168, doi. 10.1002/chem.202002013

By:

Rivada‐Wheelaghan, Orestes;
Comas‐Vives, Aleix;
Fayzullin, Robert R.;
Lledós, Agustí;
Khusnutdinova, Julia R.

Publication type:

Article

Frontispiece: Molecular Chirality in Classical Spacetime: Solving the Controversy about the Spinning Cone Model of Rotating Molecules.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 47, p. 1, doi. 10.1002/chem.202084761

By:

Petitjean, Michel

Publication type:

Article

Molecular Chirality in Classical Spacetime: Solving the Controversy about the Spinning Cone Model of Rotating Molecules.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 47, p. 10648, doi. 10.1002/chem.201904247

By:

Petitjean, Michel

Publication type:

Article

Regioselective 3‐O‐Substitution of Unprotected Thiodigalactosides: Direct Route to Galectin Inhibitors.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 43, p. 9620, doi. 10.1002/chem.202002084

By:

Vašíček, Tomáš;
Spiwok, Vojtěch;
Červený, Jakub;
Petrásková, Lucie;
Bumba, Ladislav;
Vrbata, David;
Pelantová, Helena;
Křen, Vladimír;
Bojarová, Pavla

Publication type:

Article

Lead‐Doped Titanium‐Oxo Clusters as Molecular Models of Perovskite‐Type PbTiO3 and Electron‐Transport Material in Solar Cells.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 30, p. 6894, doi. 10.1002/chem.202000911

By:

Zhou, Shuyu;
Li, Congping;
Fu, Hao;
Cao, Jing;
Zhang, Jian;
Zhang, Lei

Publication type:

Article

Cover Feature: Pathways to Triplet or Singlet Oxygen during the Dissociation of Alkali Metal Superoxides: Insights by Multireference Calculations of Molecular Model Systems (Chem. Eur. J. 11/2020).

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 11, p. 2295, doi. 10.1002/chem.201905469

By:

Zaichenko, Aleksandr;
Schröder, Daniel;
Janek, Jürgen;
Mollenhauer, Doreen

Publication type:

Article

Pathways to Triplet or Singlet Oxygen during the Dissociation of Alkali Metal Superoxides: Insights by Multireference Calculations of Molecular Model Systems.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 11, p. 2395, doi. 10.1002/chem.201904110

By:

Zaichenko, Aleksandr;
Schröder, Daniel;
Janek, Jürgen;
Mollenhauer, Doreen

Publication type:

Article

Hydroxylation of Aromatics by H2O2 Catalyzed by Mononuclear Non‐heme Iron Complexes: Role of Triazole Hemilability in Substrate‐Induced Bifurcation of the H2O2 Activation Mechanism.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 3, p. 659, doi. 10.1002/chem.201903239

By:

Rebilly, Jean‐Noël;
Zhang, Wenli;
Herrero, Christian;
Dridi, Hachem;
Sénéchal‐David, Katell;
Guillot, Régis;
Banse, Frédéric

Publication type:

Article

Tautomers of a Fluorescent G Surrogate and Their Distinct Photophysics Provide Additional Information Channels.

Published in:

Angewandte Chemie, 2016, v. 128, n. 28, p. 8106, doi. 10.1002/anie.201601688

By:

Sholokh, Marianna;
Improta, Roberto;
Mori, Mattia;
Sharma, Rajhans;
Kenfack, Cyril;
Shin, Dongwon;
Voltz, Karine;
Stote, Roland H.;
Zaporozhets, Olga A.;
Botta, Maurizio;
Tor, Yitzhak;
Mély, Yves

Publication type:

Article

A 2:1 Receptor/C60 Complex as a Nanosized Universal Joint.

Published in:

Angewandte Chemie, 2015, v. 127, n. 38, p. 11305, doi. 10.1002/ange.201505327

By:

Yanney, Michael;
Fronczek, Frank R.;
Sygula, Andrzej

Publication type:

Article

The Virtue of Defects: Stable Bromine Production by Catalytic Oxidation of Hydrogen Bromide on Titanium Oxide.

Published in:

Angewandte Chemie, 2014, v. 126, n. 33, p. 8772, doi. 10.1002/ange.201404022

By:

Moser, Maximilian;
Czekaj, Izabela;
López, Núria;
Pérez ‐ Ramírez, Javier

Publication type:

Article

Frontispiz: Simultaneous Arrangement of up to Three Different Molecules on the Pore Surface of a Metal-Macrocycle Framework: Cooperation and Competition.

Published in:

2014

By:

Tashiro, Shohei;
Umeki, Tsutomu;
Kubota, Ryou;
Shionoya, Mitsuhiko

Publication type:

Other

Rational Design of an Apoptosis-Inducing Photoreactive DNA Intercalator.

Published in:

Angewandte Chemie, 2013, v. 125, n. 24, p. 6305, doi. 10.1002/ange.201302439

By:

Ueberschaar, Nico;
Dahse, Hans ‐ Martin;
Bretschneider, Tom;
Hertweck, Christian

Publication type:

Article