Results 101 to 110 of about 3,784,520 (317)

Systematic analysis, aggregation and visualisation of interaction fingerprints for molecular dynamics simulation data

Journal of Cheminformatics
Computational methods such as molecular docking or molecular dynamics (MD) simulations have been developed to simulate and explore the interactions between biomolecules.
Sabrina Jaeger-Honz, Karsten Klein, Falk Schreiber   +2 more
doaj   +1 more source

Computational analysis of Allium sativum compounds to identify thermolabile hemolysin inhibitors against Vibrio alginolyticus in shrimp

Journal of Advanced Biotechnology and Experimental Therapeutics
Vibrio alginolyticus is one of the major disease-causing bacteria in shrimp aquaculture. The widespread use of antibiotics in shrimp aquaculture to treat bacterial diseases has raised concerns about antibiotic resistance.
Sayed Mashequl Bari, Nafees Bin Reza, Meamaching Marma, Sk. Foisal Ahmed, Md Arif Hussain, Md Naimuddin Jabed, Md Alomgir Hossain, Maria Manzoor, Md Saiful Alam   +8 more
doaj   +1 more source

Chapter 21: Expanding MD Anderson’s Reputation

, 2012
Dr. Hill begins this chapter by explaining why so many ENT cancers were referred to MD Anderson to have the successful, less disfiguring surgeries for people “who were supposed to be dead.” (He vividly describes the process of “walking a flap [of skin]”
Hill, C. Stratton, Jr. MD, Rosolowski, Tacey A., PhD   +1 more
core  

Monolithic Oxidation Enables Ultrathin Vertically Graded Tantalum Oxide for Low‐Voltage, Low‐Variability Memristive Switching

Advanced Functional Materials, EarlyView.
Monolithic UV‐ozone oxidation of Ta forms an ultrathin Ta2O5/TaOx bilayer enabling resistive switching with a vertical defect gradient. A stoichiometric surface layer over an oxygen‐deficient sublayer promotes localized filament nucleation near the top interface, enabling low‐voltage operation, and reduced cycle‐to‐cycle variability.
Seunghoon Yang, Dong Hyun Lee, Conan Weiland, Won‐Il Lee, Kim Kisslinger, Mingzhao Liu, Aswin kumar Anbalagan, Xiao Tong, Soumyajit Mandal, Nikhil Tiwale, Houk Jang, Chang‐Yong Nam   +11 more
wiley   +1 more source

Chapter: 11 Early Experiences at MD Anderson

, 2013
Dr. Bodey begins the chapter by noting the importance of the work done by Dr. Emil Frei and Dr. J Freireich at MD Anderson. He then observes that, prior to his own arrival at MD Anderson, no one had done large-scale studies of infectious diseases.
Bodey, Gerald P., MD, Rosolowski, Tacey A., PhD   +1 more
core  

Eugenie Kleinerman, MD, Oral History Interview, June 18, 2014 [PDF]

, 2014
Major Topics Covered: Women in medicine and at MD Anderson Views on change at MD Anderson with shifts in executive leadershiphttps://openworks.mdanderson.org/mchv_interviewsessions/1247/thumbnail ...
Kleinerman, Eugenie S., MD, Rosolowski, Tacey A., PhD   +1 more
core  

Bio‐Derived Polyelectrolyte Additive–Induced Interfacial Ion‐Diffusion Barriers for Nonvolatile Organic Artificial Synapses

Advanced Functional Materials, EarlyView.
Sodium alginate regulates interfacial ion transport and retention in electrolyte‐gated synaptic transistors. The carboxylate‐rich polymeric network forms a dynamic interfacial ion‐diffusion barrier that facilitates ion injection during programming while suppressing ion back‐diffusion, thereby stabilizing the electrochemically doped channel state.
Chaeyeon Han, Donghwa Lee, Hyeonse Kim, Hyoik Jang, Sein Chung, Geun Yeol Bae, Eunho Lee   +6 more
wiley   +1 more source

Molecular dynamics simulations and linear response theories jointly describe biphasic responses of myoglobin relaxation and reveal evolutionarily conserved frequent communicators

Biophysics and Physicobiology, 2019
In this study, we provide a time-dependent mechanical model, taking advantage of molecular dynamics simulations, quasiharmonic analysis of molecular dynamics trajectories, and time-dependent linear response theories to describe vibrational energy ...
Bang-Chieh Huang, Lee-Wei Yang
doaj   +1 more source

Strong Lead‐Free Bioinspired Piezoceramics for Durable Energy Transducers

Advanced Functional Materials, EarlyView.
We fabricated brick‐and‐mortar lead‐free piezoceramics with Bi0.5Na0.5TiO3 monocrystal platelets as bricks and amorphous silica as mortar. The alignment of the bricks and the presence of the amorphous silica led to anisotropic residual stresses. These residual stresses increase the samples toughness, strength and durability while the brick alignment ...
Ruxue Yang, Temesgen Tadeyos Zate, Peiren Wang, Soumyajit Mojumder, Elo Overgaard Mogensen, Oriol Gavalda‐Diaz, Zihe Li, Shitong Zhou, Ajeet Kumar, James Roscow, Hamideh Khanbareh, Astri Bjørnetun Haugen, Florian Bouville   +12 more
wiley   +1 more source

All-atom MD simulations of the HPV16 capsid

Abstract Human papillomavirus (HPV) type 16, one of over 200 known genotypes, is a major cause of anogenital and oropharyngeal cancers worldwide. The L1 protein capsid – which represents the exterior shell of the virus – plays essential roles in host cell adhesion and entry, and is the major antigen used in vaccines that protect against
Santiago Antolínez, Jodi A. Hadden-Perilla   +1 more
openaire   +2 more sources