Orientation Dependent Mechanical Responses and Plastic Deformation Mechanisms of ZnSe Nano Films under Nanoindentation

por Chao Xu, Futi Liu, Chunmei Liu, Pei Wang, Huaping Liu
Publicado 2021

Designing new antitubercular isoniazid derivatives with improved reactivity and membrane trafficking abilities

por Catarina Frazão de Faria, Tânia Moreira, Pedro Lopes, Henrique Costa, Jessica R. Krewall, Callie M. Barton, Susana Santos, Douglas Goodwin, Diana Machado, Miguel Viveiros, Miguel Machuqueiro, Filomena Martins
Publicado 2021

Quasi-Unidirectional Transport Bilayer Two-Dimensional Nanopores for Highly-Efficient Molecular Sieving

por Chengzhen Sun, Cheng Liu, Kailin Luo, Bofeng Bai
Publicado 2021

Molecular Mechanisms Associated with Clustered Lesion-Induced Impairment of 8-oxoG Recognition by the Human Glycosylase OGG1

por Tao Jiang, Antonio Monari, Elise Dumont, Emmanuelle Bignon
Publicado 2021

Thermal behavior of water base-fluid in the presence of graphene nanosheets and carbon nanotubes: A molecular dynamics simulation

por Danhong Li, Mustafa Z. Mahmoud, Wanich Suksatan, Maria Kuznetsova, Azher M. Abed, Maboud Hekmatifar, Davood Toghraie, Roozbeh Sabetvand
Publicado 2021

Structure and Undulations of Escin Adsorption Layer at Water Surface Studied by Molecular Dynamics

por Sonya Tsibranska, Anela Ivanova, Slavka Tcholakova, Nikolai Denkov
Publicado 2021

A Free-Energy Landscape Analysis of Calmodulin Obtained from an NMR Data-Utilized Multi-Scale Divide-and-Conquer Molecular Dynamics Simulation

por Hiromitsu Shimoyama, Yasuteru Shigeta
Publicado 2021

Molecular Dynamics Simulation of Laser Induced Heating of Silicon Dioxide Thin Films

por Fedor Vasilievich Grigoriev, Vladimir Borisovich Sulimov, Alexander Vladimirovich Tikhonravov
Publicado 2021

Ab Initio Molecular Dynamics Study of the Structure and Properties of Nb-Doped Zr-Cu-Al Amorphous Alloys

por Hongqing Wei, Ping Zhang, Yi Tang
Publicado 2021

Molecular Dynamics Simulations of the Tensile Mechanical Responses of Selective Laser-Melted Aluminum with Different Crystalline Forms

por Qiang Zeng, Lijuan Wang, Wugui Jiang
Publicado 2021

Use of Poly(vinyl alcohol)-Malic Acid (CLHPMA) Hydrogels and Chitosan Coated Calcium Alginate (CCCA) Microparticles as Potential Sorbent Phases for the Extraction and Quantitative...

por Cristian Valdés, Oscar Valdés, Daniel Bustos, Diana Abril, Gustavo Cabrera-Barjas, Alfredo Pereira, Jorge Villaseñor, Efraín Polo-Cuadrado, Gustavo Carreño, Esteban F. Durán-Lara, Adolfo Marican
Publicado 2021

The Unconventional Cytoplasmic Sensing Mechanism for Ethanol Chemotaxis in <named-content content-type="genus-species">Bacillus subtilis</named-content>

por Payman Tohidifar, Girija A. Bodhankar, Sichong Pei, C. Keith Cassidy, Hanna E. Walukiewicz, George W. Ordal, Phillip J. Stansfeld, Christopher V. Rao
Publicado 2020

Identification of key structural features of phosphate and thiophosphate tricyclic coumarin analogs as STS inhibitors

por Srimathi Radha, K. Kathiravan Muthu
Publicado 2021

Engineering of Ocriplasmin Variants by Bioinformatics Methods for the Reduction of Proteolytic and Autolytic Activities

por Roghayyeh Baghban, Safar Farajnia, Younes Ghasemi, Mojtaba Mortazavi, Samaneh Ghasemali, Mostafa Zakariazadeh, Nosratollah Zarghami, Nasser Samadi
Publicado 2021

An Unbound Proline-Rich Signaling Peptide Frequently Samples Cis Conformations in Gaussian Accelerated Molecular Dynamics Simulations

por Juan Alcantara, Robyn Stix, Katherine Huang, Acadia Connor, Ray East, Valeria Jaramillo-Martinez, Elliott J. Stollar, K. Aurelia Ball
Publicado 2021

Finding the First Potential Inhibitors of Shikimate Kinase from Methicillin Resistant <i>Staphylococcus aureus</i> through Computer-Assisted Drug Design

por Lluvia Rios-Soto, Alfredo Téllez-Valencia, Erick Sierra-Campos, Mónica Valdez-Solana, Jorge Cisneros-Martínez, Marcelo Gómez Palacio-Gastélum, Adriana Castillo-Villanueva, Claudia Avitia-Domínguez
Publicado 2021

Quantitative Study on Solubility Parameters and Related Thermodynamic Parameters of PVA with Different Alcoholysis Degrees

por Siqi Chen, Hao Yang, Kui Huang, Xiaolong Ge, Hanpeng Yao, Junxiang Tang, Junxue Ren, Shixue Ren, Yanli Ma
Publicado 2021

Steered Molecular Dynamics of Lipid Membrane Indentation by Carbon and Silicon-Carbide Nanotubes—The Impact of Indenting Angle Uncertainty

por Przemysław Raczyński, Krzysztof Górny, Piotr Bełdowski, Steven Yuvan, Beata Marciniak, Zbigniew Dendzik
Publicado 2021

Molecular Dynamics Simulations Study of the Interactions between Human Dipeptidyl-Peptidase III and Two Substrates

por Shitao Zhang, Shuai Lv, Xueqi Fu, Lu Han, Weiwei Han, Wannan Li
Publicado 2021

The HIV-1 Nucleocapsid Regulates Its Own Condensation by Phase-Separated Activity-Enhancing Sequestration of the Viral Protease during Maturation

por Sébastien Lyonnais, S. Kashif Sadiq, Cristina Lorca-Oró, Laure Dufau, Sara Nieto-Marquez, Tuixent Escribà, Natalia Gabrielli, Xiao Tan, Mohamed Ouizougun-Oubari, Josephine Okoronkwo, Michèle Reboud-Ravaux, José Maria Gatell, Roland Marquet, Jean-Christophe Paillart, Andreas Meyerhans, Carine Tisné, Robert J. Gorelick, Gilles Mirambeau
Publicado 2021