Discriminating between competing models for the allosteric regulation of oncogenic phosphatase SHP2 by characterizing its active state

par Paolo Calligari, Valerio Santucci, Lorenzo Stella, Gianfranco Bocchinfuso
Publié 2021

A Selection Flowchart for Micromodel Experiments Based on Computational Fluid Dynamic Simulations of Surfactant Flooding in Enhanced Oil Recovery

par Santiago Céspedes, Alejandro Molina, Betiana Lerner, Maximiliano S. Pérez, Camilo A. Franco, Farid B. Cortés
Publié 2021

Simulation studies, 3D QSAR and molecular docking on a point mutation of protein kinase B with flavonoids targeting ovarian Cancer

par Suchitra Maheswari Ajjarapu, Apoorv Tiwari, Gohar Taj, Dev Bukhsh Singh, Sakshi Singh, Sundip Kumar
Publié 2021

Computational Insights into the Binding Mechanism of OxyS sRNA with Chaperone Protein Hfq

par Mengxin Li, Yalong Cong, Yifei Qi, John Z. H. Zhang
Publié 2021

Molecular dynamics simulation and thermo-mechanical characterization for optimization of three-phase epoxy/TiO2/SiO2 nano-composites

par Akbar Takari, Ahmad Reza Ghasemi, Masood Hamadanian, Marzieh Sarafrazi, Ahmad Najafidoust
Publié 2021

EVA enhances the interfacial strength of EPS concrete: a molecular dynamics study

par Yong Feng, Dajing Qin, Lijuan Li, Yuan Li, Chao Wang, PeiYan Wang
Publié 2021

Molecular Dynamic Simulation Analysis on the Inclusion Complexation of Plumbagin with β-Cyclodextrin Derivatives in Aqueous Solution

par Kulpavee Jitapunkul, Pisanu Toochinda, Luckhana Lawtrakul
Publié 2021

Assessment of the Contribution of a Thermodynamic and Mechanical Destabilization of Myosin-Binding Protein C Domain C2 to the Pathomechanism of Hypertrophic Cardiomyopathy-Causing...

par Frederic V. Schwäbe, Emanuel K. Peter, Manuel H. Taft, Dietmar J. Manstein
Publié 2021

Albumin–Hyaluronan Interactions: Influence of Ionic Composition Probed by Molecular Dynamics

par Piotr Bełdowski, Maciej Przybyłek, Przemysław Raczyński, Andra Dedinaite, Krzysztof Górny, Florian Wieland, Zbigniew Dendzik, Alina Sionkowska, Per M. Claesson
Publié 2021

Presynaptic Release-Regulating Alpha2 Autoreceptors: Potential Molecular Target for Ellagic Acid Nutraceutical Properties

par Isabella Romeo, Giulia Vallarino, Federica Turrini, Alessandra Roggeri, Guendalina Olivero, Raffaella Boggia, Stefano Alcaro, Giosuè Costa, Anna Pittaluga
Publié 2021

Computational Assessment of <i>Botrytis cinerea</i> Lipase for Biofuel Production

par Tehsin Fatma, Zeeshan Zafar, Sidra Fatima, Rehan Zafar Paracha, Fazal Adnan, Zeshan, Nasar Virk, Muhammad Faraz Bhatti
Publié 2021

<italic toggle="yes">In Silico</italic> Structure-Based Repositioning of Approved Drugs for Spike Glycoprotein S2 Domain Fusion Peptide of SARS-CoV-2: Rationale from Molecular Dyna...

par Nishant Shekhar, Phulen Sarma, Manisha Prajapat, Pramod Avti, Hardeep Kaur, Anupam Raja, Harvinder Singh, Anusuya Bhattacharya, Saurabh Sharma, Subodh Kumar, Ajay Prakash, Bikash Medhi
Publié 2020

Simulation of Fretting Fatigue in Conformal and Concentrated Contacts

par Dag Fritzson, Jonas St&aring;hl, Guillermo Morales-Espejel
Publié 2011

Bioinspired supramolecular nanofiber hydrogel through self-assembly of biphenyl-tripeptide for tissue engineering

par Yong Sun, Xing Li, Mingda Zhao, Yafang Chen, Yang Xu, Kefeng Wang, Shaoquan Bian, Qing Jiang, Yujiang Fan, Xingdong Zhang
Publié 2022

A Dynamic Equivalent of Active Distribution Network: Derivation, Update, Validation and Use Cases

par Gilles Chaspierre, Guillaume Denis, Patrick Panciatici, Thierry Van Cutsem
Publié 2021

Influences of Film Deposition Condition on Friction of Diamond-Like Carbon Film: A Theoretical Investigation

par Tasuku Onodera, Takanori Kuriaki, Shandan Bai, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto
Publié 2010

The Effect of Phase Separation on the Mechanical Behavior of the Co–Cr–Cu–Fe–Ni High-Entropy Alloy

par Heling Liu, Chuanxiao Peng, Xuelian Li, Shenghai Wang, Li Wang
Publié 2021

Influence of Mo Segregation at Grain Boundaries on the High Temperature Creep Behavior of Ni-Mo Alloys: An Atomistic Study

par Qian Li, Jiayong Zhang, Huayuan Tang, Hongwu Zhang, Hongfei Ye, Yonggang Zheng
Publié 2021