Dependence of electroosmosis on polymer structure in proton exchange membranes

par Takuya MABUCHI, Takashi TOKUMASU
Publié 2017

Understanding the Radiation Resistance Mechanisms of Nanocrystalline Metals from Atomistic Simulation

par Liang Zhang
Publié 2021

Functional Characterization and Structural Insights Into Stereoselectivity of Pulegone Reductase in Menthol Biosynthesis

par Chanchan Liu, Qiyu Gao, Zhuo Shang, Jian Liu, Siwei Zhou, Jingjie Dang, Licheng Liu, Iris Lange, Narayanan Srividya, B. Markus Lange, Qinan Wu, Qinan Wu, Wei Lin, Wei Lin, Wei Lin, Wei Lin
Publié 2021

Simultaneous Assignment and Structure Determination of Proteins From Sparsely Labeled NMR Datasets

par Arup Mondal, Alberto Perez
Publié 2021

89Zr-Labeled Multifunctional Liposomes Conjugate Chitosan for PET-Trackable Triple-Negative Breast Cancer Stem Cell Targeted Therapy

par Yang R, Lu M, Ming L, Chen Y, Cheng K, Zhou J, Jiang S, Lin Z, Chen D
Publié 2020

Coupled Strengthening Effects by Lattice Distortion, Local Chemical Ordering, and Nanoprecipitates in Medium-Entropy Alloys

par Wenqiang Cheng, Wenqiang Cheng, Fuping Yuan, Fuping Yuan, Xiaolei Wu, Xiaolei Wu
Publié 2021

Synthesis and Molecular Dynamics Simulation of Amphiphilic Low Molecular Weight Polymer Viscosity Reducer for Heavy Oil Cold Recovery

par Chao Ma, Xingyu Liu, Longlong Xie, Yan Chen, Wendong Ren, Wen Gu, Minghua Zhang, Huili Zhou
Publié 2021

Nanotechnology, from quantum mechanical calculations up to drug delivery

par Szefler B
Publié 2018

Molecular modeling and structural analysis of some tetrahydroindazole and cyclopentanepyrazole derivatives as COX-2 inhibitors

par Efraín Polo-Cuadrado, Karen Acosta-Quiroga, Cristian Rojas-Peña, Yeray A. Rodriguez-Nuñez, Yorley Duarte, Iván Brito, Jonathan Cisterna, Margarita Gutiérrez
Publié 2022

Explore Protein Conformational Space With Variational Autoencoder

par Hao Tian, Xi Jiang, Francesco Trozzi, Sian Xiao, Eric C. Larson, Peng Tao
Publié 2021

Synthesis, Antimicrobial, Anticancer, PASS, Molecular Docking, Molecular Dynamic Simulations & Pharmacokinetic Predictions of Some Methyl β-D-Galactopyranoside Analogs

par Md. Ruhul Amin, Farhana Yasmin, Mohammed Anowar Hosen, Sujan Dey, Shafi Mahmud, Md. Abu Saleh, Talha Bin Emran, Imtiaj Hasan, Yuki Fujii, Masao Yamada, Yasuhiro Ozeki, Sarkar Mohammad Abe Kawsar
Publié 2021

Molecular Docking and Virtual Screening of an Influenza Virus Inhibitor That Disrupts Protein–Protein Interactions

par Yixin Ren, Sihui Long, Shuang Cao
Publié 2021

Advanced Bioinformatics Tools in the Pharmacokinetic Profiles of Natural and Synthetic Compounds with Anti-Diabetic Activity

par Ana Maria Udrea, Gratiela Gradisteanu Pircalabioru, Anca Andreea Boboc, Catalina Mares, Andra Dinache, Maria Mernea, Speranta Avram
Publié 2021

A Refined Molecular Dynamics Approach to Predict the Thermophysical Properties of Positively Charged Alumina Nanoparticles Suspended in Water

par Sylvie Antoun, Seshasai Srinivasan, M. Ziad Saghir
Publié 2021

Structural and Computational Study of the GroEL–Prion Protein Complex

par Aleksandra A. Mamchur, Andrei V. Moiseenko, Irina S. Panina, Igor A. Yaroshevich, Sofia S. Kudryavtseva, Evgeny B. Pichkur, Olga S. Sokolova, Vladimir I. Muronetz, Tatiana B. Stanishneva-Konovalova
Publié 2021

Predicting New Anti-Norovirus Inhibitor With the Help of Machine Learning Algorithms and Molecular Dynamics Simulation–Based Model

par Oluwakemi Ebenezer, Nkululeko Damoyi, Michael Shapi
Publié 2021

Modeling DNA Opening in the Eukaryotic Transcription Initiation Complexes via Coarse-Grained Models

par Genki Shino, Shoji Takada
Publié 2021

Molecular mechanisms of the influenza fusion peptide: insights from experimental and simulation studies

par Diana Lousa, Cláudio M. Soares
Publié 2021

An Integrated Deep Learning and Molecular Dynamics Simulation-Based Screening Pipeline Identifies Inhibitors of a New Cancer Drug Target TIPE2

par Haiping Zhang, Junxin Li, Konda Mani Saravanan, Hao Wu, Zhichao Wang, Du Wu, Yanjie Wei, Zhen Lu, Youhai H. Chen, Xiaochun Wan, Yi Pan
Publié 2021

Molecular Investigation of Chicken Acid-Sensing Ion Channel 1 β11-12 Linker Isomerization and Channel Kinetics

par Matthew L. Rook, Anna Ananchenko, Maria Musgaard, David M. MacLean
Publié 2021