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1-55 out of 55 article(s)
Title Author Type Date Words
Mechanical performance analysis of polyurethane-modified asphalt using molecular dynamics method. Lu, Pengzhen; Huang, Simin; Shen, Yang; Zhou, Chenhao; Shao, Limin Report Sep 1, 2021 7341
Molecular Dynamics Simulations of the Thermal Conductivity of Silicon-Germanium and Silicon-Germanium-Tin Alloys. Wang, Zan; Cai, X. Y.; Zhao, W. K.; Wang, H.; Ruan, Y. W. Jan 1, 2021 4142
Combining Well-Tempered Metadynamics Simulation and SPR Assays to Characterize the Binding Mechanism of the Universal T-Lymphocyte Tetanus Toxin Epitope TT830-843. Brandt, Artur A. M. L.; Rodrigues-da-Silva, Rodrigo N.; Lima-Junior, Josué C.; Alves, Carlos R.; de Jan 1, 2021 11692
Achieving directional migration of hindered phenols in polymer-based damping hybrid via the construction of alternating layers. Xu, Kangming; Hu, Qiaoman; Wu, Hong; Guo, Shaoyun; Zhang, Fengshun Report Dec 1, 2020 4784
Identification of New Antimicrobial Peptides from Mediterranean Medical Plant Charybdis pancration (Steinh.) Speta. Cunsolo, Vincenzo; Schicchi, Rosario; Chiaramonte, Marco; Inguglia, Luigi; Arizza, Vincenzo; Cusiman Nov 1, 2020 6955
Electrical conductivity of poly (vinyl alcohol)/carbon nanotube multilayer thin films: Influence of sodium polystyrene sulfonate mediated carbon nanotube dispersion. Rama, Prasad; Kummara, Sreenivas; Bandyopadhyaya, Rajdip; Panwar, Ajay S.; Bhattacharyya, Arup R. Report Nov 1, 2020 5780
Estrogenic Effect of Scoparia dulcis (Linn) Extract in Mice Uterus and In Silico Molecular Docking Studies of Certain Compounds with Human Estrogen Receptors. Wangsa, Khamhee; Sarma, Indira; Saikia, Purbajyoti; Ananthakrishnan, Dhanabalan; Sarma, Hirendra Nat Oct 1, 2020 5799
In-silico Analysis to Determine the Efficient Drug for Malignant Melanoma using Molecular Dynamics. Pallavi, M.S.; Kumar, H.S. Pramod Report Sep 1, 2020 2391
Anti-Tubercular Properties of 4-Amino-5-(4-Fluoro-3-Phenoxyphenyl)-4H-1,2,4-Triazole-3-Thiol and Its Schiff Bases: Computational Input and Molecular Dynamics. Venugopala, Katharigatta N.; Kandeel, Mahmoud; Pillay, Melendhran; Deb, Pran Kishore; Abdallah, Hass Report Sep 1, 2020 7670
Multiscale Study on the Modification Mechanism of Red Mud Modified Asphalt. Fu, Tao; Wei, JianHui; Bao, Huiming; Liang, Junlin Report Aug 31, 2020 5316
Functional and Structural Analysis of Predicted Proteins Obtained from Homo sapiens' Minisatellite 33.15-Tagged Transcript pAKT-45 Variants. Shahbaaz, Mohd; Al-Samghan, Awad Saeed; Malik, Arshi; Afaq, Sarah; Alwabli, Afaf S.; Ahmad, Irfan; H Jun 30, 2020 4279
Effect of New Analogs of Hexyloxy Phenyl Imidazoline on Quorum Sensing in Chromobacterium violaceum and In Silico Analysis of Ligand-Receptor Interactions. Herrera-Arizmendi, Jose Luis; Curiel-Quesada, Everardo; Correa-Basurto, Jose; Bello, Martiniano; Rey Mar 31, 2020 9327
The Dynamics of Canalizing Boolean Networks. Paul, Elijah; Pogudin, Gleb; Qin, William; Laubenbacher, Reinhard Mar 1, 2020 10023
Computer Modeling of Structural Transformations of Nanopores in Fcc Metals. Brief article Jan 1, 2020 129
Modified Atom Search Optimization Based on Immunologic Mechanism and Reinforcement Learning. Fu, Yanming; Li, Zhuohang; Qu, Chiwen; Chen, Haiqiang Jan 1, 2020 13333
Molecular Modelling and Dynamics Study of nsSNP in STXBP1 Gene in Early Infantile Epileptic Encephalopathy Disease. Mehdi, Krami Al; Fouad, Benhnini; Zouhair, Elkarhat; Boutaina, Belkady; Yassine, Naasse; Chaimaa, Ai Report Jan 1, 2020 7188
Molecular Dynamics Study on SiO[sub.2] Interfaces of Nonfiring Solids. Sato, Tomohiro; Kubota, Atsuto; Saitoh, Ken-ichi; Fuji, Masayoshi; Takai, Chika; Sena, Hadi; Takuma, Report Jan 1, 2020 5133
LEAP-FROG METHOD FOR STOCHASTIC FUNCTIONAL WAVE EQUATIONS. Leszczynski, Henryk; Matusik, Milena; Wrzosek, Monika Jan 1, 2020 3936
Directional Gradientless Thermoexcited Rotating System Based on Carbon Nanotubes and Graphene. Wu, Xin; Han, Qiang Dec 31, 2019 5505
Computational Analysis of nsSNPs of ADA Gene in Severe Combined Immunodeficiency Using Molecular Modeling and Dynamics Simulation. Essadssi, Soukaina; Krami, Al Mehdi; Elkhattabi, Lamiae; Elkarhat, Zouhair; Amalou, Ghita; Abdelghaf Nov 30, 2019 6926
A Mathematical Model for Amorphous Polymers Based on Concepts of Reptation Theory. Yang, Lixiang Nov 1, 2019 8925
Thermal Transport in Silicon-Germanium Superlattices at Low Temperatures. Wang, Zan; Cai, Xingyu; Mao, Tiezhu Oct 31, 2019 4812
Influence of Irradiation on Mechanical Properties of Nickel. Ma, Lei; Li, Changsheng; Shang, Xue; Hu, Wangyu Sep 30, 2019 2846
Computational Investigation of Marine Bioactive Compounds Reveals Frigocyclinone as a Potent Inhibitor of Kaposi's Sarcoma Associated Herpesvirus (KSHV) Targets. Ponnusamy, Nirmaladevi; Odumpatta, Rajasree; Dhamodharan, Pavithra; Arumugam, Mohanapriya Sep 1, 2019 7364
Causal Enzymology and Physiological Aspects May Be Accountable to Membrane Integrity in Response to Salt Stress in Arabidopsis thaliana Lines. Bouazzi, Hassiba; Feki, Kaouthar; Zouari, Nabil; Sahnoun, Mouna; Brini, Faical; Saibi, Walid Jul 31, 2019 7381
In Silico and In Vitro Analysis of the 4,4',4"-((1,3,5-Triazine-2,4,6-triyl)tris(azanediyl))triphenol), an Antioxidant Agent with a Possible Anti-Inflammatory Function. Castro, Ricardo I.; Valenzuela-Riffo, Felipe; Morales-Quintana, Luis Jun 30, 2019 5399
Identification of Chinese Herbal Compounds with Potential as JAK3 Inhibitors. Su, Dan; Gao, Yu-Qiao; Deng, Yong-Jie; Zhang, Han-Hui; Wu, You-Ru; Hu, Ying; Mei, Quan-Xi Apr 30, 2019 6314
Mutation Spectrum in TPO Gene of Bangladeshi Patients with Thyroid Dyshormonogenesis and Analysis of the Effects of Different Mutations on the Structural Features and Functions of TPO Protein through In Silico Approach. Begum, Noorjahan; Islam, Md Tarikul; Hossain, Shekh Rezwan; Bhuyan, Golam Sarower; Halim, Mohammad A Mar 31, 2019 11782
Dynamics of Geological Trapping of CO2. Mar 10, 2019 649
Study the Effects of Nanofiber on the Polymer Chain Orientation Using Molecular Dynamic in the Circular Duct Flow. Kanvisi, Mojtaba Report Jan 1, 2019 3777
Effects of Vacancy Concentration and Temperature on Mechanical Properties of Single-Crystal [gamma]-TiAl Based on Molecular Dynamics Simulation. Ruicheng, Feng; Hui, Cao; Haiyan, Li; Zhiyuan, Rui; Changfeng, Yan Feb 1, 2018 3570
Molecular Dynamics Simulation on Cavitation Bubble Collapse. Qiu, Chao; Chen, Han; Zhou, Changchun Report Jan 1, 2018 2637
Quantum Simulations of Charge Separation at a Model Donor-Acceptor Interface: Role of Delocalization and Local Packing. Kelley, Allen; Patel, Kush; Bittner, Eric R. Report Jan 1, 2018 5669
Numerical Simulations for Large Deformation of Geomaterials Using Molecular Dynamics. Zhao, Ziyang; Zhang, Jun Jan 1, 2018 3406
The State-of-the-Art Review on Molecular Dynamics Simulation of Asphalt Binder. Qu, Xin; Wang, Dawei; Wang, Linbing; Huang, Yucheng; Hou, Yue; Oeser, Markus Jan 1, 2018 8583
Insights into the Molecular Mechanisms of Protein-Ligand Interactions by Molecular Docking and Molecular Dynamics Simulation: A Case of Oligopeptide Binding Protein. Fu, Yi; Zhao, Ji; Chen, Zhiguo Jan 1, 2018 6767
Molecular Dynamics Study on Deformation Mechanism of Grain Boundaries in Magnesium Crystal: Based on Coincidence Site Lattice Theory. Saitoh, Ken-ichi; Kuramitsu, Kohei; Sato, Tomohiro; Takuma, Masanori; Takahashi, Yoshimasa Report Jan 1, 2018 4788
Exploring the Therapeutic Ability of Fenugreek against Type 2 Diabetes and Breast Cancer Employing Molecular Docking and Molecular Dynamics Simulations. Rampogu, Shailima; Parameswaran, Saravanan; Lemuel, Mary Rampogu; Lee, Keun Woo Jan 1, 2018 6695
Dynamics and Thermodynamics of Transthyretin Association from Molecular Dynamics Simulations. Foumthuim, Cedrix J. Dongmo; Corazza, Alessandra; Berni, Rodolfo; Esposito, Gennaro; Fogolari, Feder Jan 1, 2018 8189
Coupling Strategies Investigation of Hybrid Atomistic-Continuum Method Based on State Variable Coupling. Wang, Qian; Ren, Xiao-Guang; Xu, Xin-Hai; Li, Chao; Ji, Hong-Yu; Yang, Xue- Jun Jan 1, 2017 11520
Molecular Dynamics Modeling of the Effect of Nanotwins on the Superelasticity of Single-Crystalline NiTi Alloys. Guo, Yang; Zeng, Xiangguo; Chen, Huayan; Han, Tixin; Tian, Heyi; Wang, Fang Jan 1, 2017 4767
Mechanical Property and Analysis of Asphalt Components Based on Molecular Dynamics Simulation. Li, Rui; Guo, Qiqi; Du, Hui; Pei, Jianzhong Report Jan 1, 2017 3583
Molecular Dynamics of POPC Phospholipid Bilayers through the Gel to Fluid Phase Transition: An Incoherent Quasi-Elastic Neutron Scattering Study. Wanderlingh, U.; Branca, C.; Crupi, C.; Nibali, V. Conti; La Rosa, G.; Rifici, S.; Ollivier, J.; D'A Technical report Jan 1, 2017 5669
Molecular Dynamics Study of the Factors Influencing the [beta]-Cyclodextrin Inclusion Complex Formation of the Isomers of Linear Molecules. Alvira, E. Technical report Jan 1, 2017 6762
Dissect the Dynamic Molecular Circuits of Cell Cycle Control through Network Evolution Model. Peng, Yang; Scott, Paul; Tao, Ruikang; Wang, Hua; Wu, Yan; Peng, Guang Report Jan 1, 2017 4666
Expression, Docking, and Molecular Dynamics of Endo-[beta]-1,4-xylanase I Gene of Trichoderma virens in Pichia stipitis. Wickramasinghe, Gammadde Hewa Ishan Maduka; Rathnayake, Pilimathalawe Panditharathna Attanayake Mudi Report Jan 1, 2017 6706
Electrostatic Switch Function in the Mechanism of Protein Kinase A I[alpha] Activation: Results of the Molecular Dynamics Simulation. Rogacheva, Olga N.; Shchegolev, Boris F.; Vershinina, Elena A.; Tokmakov, Alexander A.; Stefanov, Va Report Jan 1, 2017 5137
Water evaporation optimization algorithm for various economic load dispatch problems. Venkadesh, R.; Anandhakumar, R. Report Dec 1, 2016 5421
Repulsive gravity in the Oppenheimer-Snyder collapsar. Marshall, Trevor W. Report Apr 1, 2016 2289
On the potential of mean force of a sterically stabilized dispersion. Centeno, R. Catarino; Perez, E.; Goicochea, A. Gama Nov 1, 2014 5710
Size effects: the relation to the percentage of atoms that participate in the deformation of ZrCu metallic glass. Gao, L.K.; Zhao, F.L.; Xu, N.; Qi, L.; Liu, R.P. Report Jan 1, 2014 2344
Molecular dynamics simulation of solidification of Pd-Ni clusters with different nickel content. Gang, Chen; Peng, Zhang; Hongwei, Liu Report Jan 1, 2014 3437
Study of the thermal decomposition of PFPEs lubricants on a thin DLC film using finitely extensible nonlinear elastic potential based molecular dynamics simulation. Nath, S.K. Deb; Wong, C.H. Report Jan 1, 2014 7327
Energetic collisions in molecular solids. Garrick, Chris; Krantzman, Kristin D. Brief Article Jan 1, 2002 191
Molecular dynamics simulations and neutron scattering yield new insight into protein dynamics. (News Briefs). Brief Article Sep 1, 2001 258

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