Chemical Constituents, In Vitro Antioxidant Activity and In Silico Study on NADPH Oxidase of <i>Allium sativum</i> L. (Garlic) Essential Oil

por Oscar Herrera-Calderon, Luz Josefina Chacaltana-Ramos, Irma Carmen Huayanca-Gutiérrez, Majed A. Algarni, Mohammed Alqarni, Gaber El-Saber Batiha
Publicado 2021

Novel lipophilic SN38 prodrug forming stable liposomes for colorectal carcinoma therapy

por Xing J, Zhang X, Wang Z, Zhang H, Chen P, Zhou G, Sun C, Gu N, Ji M
Publicado 2019

A Study of Viscoelastic Model of Polymers in Shear Flow Based on Molecular Dynamic Simulations

por Donglei LIU, Haizhen ZHOU, Kun FANG, Chuanliang CAO
Publicado 2021

Boron Nitride Nanotube as an Antimicrobial Peptide Carrier: A Theoretical Insight

por Zarghami Dehaghani M, Bagheri B, Yousefi F, Nasiriasayesh A, Hamed Mashhadzadeh A, Zarrintaj P, Rabiee N, Bagherzadeh M, Fierro V, Celzard A, Saeb MR, Mostafavi E
Publicado 2021

Molecular Structure Effect of a Self-Assembled Monolayer on Thermal Resistance across an Interface

por Lijian Song, Youchen Zhang, Weimin Yang, Jing Tan, Lisheng Cheng
Publicado 2021

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

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

Prediction of Pressure-Viscosity Coefficient of Mixtures

por Shinichiro Hayashi, Kazuo Masuhara, Sobahan Mia, Shigeki Morita, Nobuyoshi Ohno
Publicado 2008

A Theoretical Investigation on the Dynamic Behavior of Molybdenum Dithiocarbamate Molecule in the Engine Oil Phase

por Tasuku Onodera, Yusuke Morita, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Momoji Kubo, Takatoshi Shin-yoshi, Noriaki Nishino, Atsushi Suzuki, Akira Miyamoto
Publicado 2008

Molecular Dynamics Simulation of Adhesion Effect on Material Removal and Tool Wear in Diamond Grinding of Silicon Wafer

por Jun Shimizu, Hiroshi Eda, Libo Zhou, Hidemitsu Okabe
Publicado 2008

Effects of the Addition of Co or Ni Atoms on Structure and Magnetism of FeB Amorphous Alloy: Ab Initio Molecular Dynamics Simulation

por Shuwei Lu, Lei Xu, Biaobing Cao, Haiming Duan, Jun Zhang, Qiang Li
Publicado 2021

A Theoretical Study of Dynamic Behavior of Diphenyldisulphide Molecule on Fe Surface: Novel Ultra-Accelerated Quantum Chemical Molecular Dynamics Approach

por Akira Endou, Tasuku Onodera, Sayaka Nara, Ai Suzuki, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Carlos A. Del Carpio, Momoji Kubo, Akira Miyamoto
Publicado 2008

Investigation of 1, 3, 4 Oxadiazole Derivative in PTZ-Induced Neurodegeneration: A Simulation and Molecular Approach

por Faheem M, Althobaiti YS, Khan AW, Ullah A, Ali SH, Ilyas U
Publicado 2021

CCR5 and Biological Complexity: The Need for Data Integration and Educational Materials to Address Genetic/Biological Reductionism at the Interface of Ethical, Legal, and Social Im...

por Jacob Bauss, Michele Morris, Rama Shankar, Rosemary Olivero, Rosemary Olivero, Leah N. Buck, Leah N. Buck, Cynthia L. Stenger, David Hinds, David Hinds, Joshua Mills, Alexandra Eby, Joseph W. Zagorski, Caitlin Smith, Sara Cline, Nicholas L. Hartog, Nicholas L. Hartog, Bin Chen, Bin Chen, John Huss, Joseph A. Carcillo, Surender Rajasekaran, Surender Rajasekaran, Surender Rajasekaran, Caleb P. Bupp, Caleb P. Bupp, Jeremy W. Prokop, Jeremy W. Prokop
Publicado 2021

Structure-Activity Relationships of Holothuroid’s Triterpene Glycosides and Some In Silico Insights Obtained by Molecular Dynamics Study on the Mechanisms of Their Membranolytic Ac...

por Elena A. Zelepuga, Alexandra S. Silchenko, Sergey A. Avilov, Vladimir I. Kalinin
Publicado 2021

Colloidal Shear-Thickening Fluids Using Variable Functional Star-Shaped Particles: A Molecular Dynamics Study

por Rofiques Salehin, Rong-Guang Xu, Stefanos Papanikolaou
Publicado 2021

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

por Heling Liu, Chuanxiao Peng, Xuelian Li, Shenghai Wang, Li Wang
Publicado 2021

Comprehensive Identification of Deleterious <i>TP53</i> Missense VUS Variants Based on Their Impact on TP53 Structural Stability

por Benjamin Tam, Siddharth Sinha, Zixin Qin, San Ming Wang
Publicado 2021

Combined Use of Cyclodextrins and Amino Acids for the Development of Cefixime Oral Solutions for Pediatric Use

por Marzia Cirri, Natascia Mennini, Giulia Nerli, Jessica Rubia, Enrico Casalone, Fabrizio Melani, Francesca Maestrelli, Paola Mura
Publicado 2021

Integrated in silico formulation design of self-emulsifying drug delivery systems

por Haoshi Gao, Haoyue Jia, Jie Dong, Xinggang Yang, Haifeng Li, Defang Ouyang
Publicado 2021

Editorial: Experiments and Simulations: A Pas de Deux to Unravel Biological Function

por Maya Topf, Edina Rosta, Edina Rosta, Gregory R. Bowman, Massimiliano Bonomi, Massimiliano Bonomi
Publicado 2021