Results 41 to 50 of about 87,524 (253)

MSM/RD: Coupling Markov state models of molecular kinetics with reaction-diffusion simulations [PDF]

, 2018
Molecular dynamics (MD) simulations can model the interactions between macromolecules with high spatiotemporal resolution but at a high computational cost. By combining high-throughput MD with Markov state models (MSMs), it is now possible to obtain long-
De Sancho, David, del Razo, Mauricio J., Dibak, Manuel, Noé, Frank, Schütte, Christof   +4 more
core   +2 more sources

Turning Unpredictable Biomolecule Adsorption to Controlled Corona Formation: Focus on Carbon Nanomaterials

Advanced Materials, EarlyView.
Controlling the protein corona formation onto carbon nanomaterials (CNMs) enhances their functionalities as platforms for cancer theranostics. Here, we reviewed the effects of the intrinsic and acquired properties of CNMs on protein corona formation, the consequent biological and toxicological outcomes, and the strategies to reshape corona formation ...
Yajuan Zou, Yalei Hu, Jie Yu, Naoki Komatsu, Yuta Nishina, Alberto Bianco   +5 more
wiley   +1 more source

Ligand Discrimination in Myoglobin from Linear-Scaling DFT+U

, 2012
Myoglobin modulates the binding of diatomic molecules to its heme group via hydrogen-bonding and steric interactions with neighboring residues, and is an important benchmark for computational studies of biomolecules. We have performed calculations on the
Cole, Daniel J., O'Regan, David D., Payne, Mike C.   +2 more
core   +1 more source

Engineering tyrosine-based electron flow pathways in proteins: The case of aplysia myoglobin [PDF]

, 2012
Tyrosine residues can act as redox cofactors that provide an electron transfer ("hole-hopping") route that enhances the rate of ferryl heme iron reduction by externally added reductants, for example, ascorbate.
Alayash A. I., Alayash A. I., Aubert C., Bolognesi M., Brandon J. Reeder, Chris E. Cooper, Dimitri A. Svistunenko, Egmond M. R., Ekberg M., Ekberg M., Gray H. B., Holt S., Lardinois O. M., McLeod L. L., Michael T. Wilson, Moore K. P., Natanson C., Nilges M. J., Peisach J., Reece S. Y., Reeder B. J., Reeder B. J., Reeder B. J., Reeder B. J., Reeder B. J., Reeder B. J., Reeder B. J., Rogers M. S., Rova U., Rova U., Seyedsayamdost M. R., Shih C., Silaghi-Dumitrescu R., Stubbe J., Svistunenko D. A., Svistunenko D. A., Svistunenko D. A., Thompson M. K., Wilbur D. J., Yee C. S.   +39 more
core   +1 more source

Myoglobin function reassessed [PDF]

Journal of Experimental Biology, 2003
SUMMARYThe heart and those striated muscles that contract for long periods, having available almost limitless oxygen, operate in sustained steady states of low sarcoplasmic oxygen pressure that resist change in response to changing muscle work or oxygen supply. Most of the oxygen pressure drop from the erythrocyte to the mitochondrion occurs across the
Jonathan B, Wittenberg, Beatrice A, Wittenberg   +1 more
openaire   +2 more sources

Engineered Heparinized GQDS/HPEI–Polyamide Membrane for Bilirubin Removal via One Step Anti Coagulation

Advanced Materials Interfaces, EarlyView.
A multifunctional heparinized polyamide membrane embedded with graphene quantum dots (GQDs) and hyperbranched polyethyleneimine (HPEI) is engineered for efficient bilirubin removal via a one‐step anticoagulation–adsorption process. The membrane demonstrates enhanced hemocompatibility, prolonged clotting times, and high bilirubin adsorption capacity ...
Abdur Rehman Mushtaq Ahmad, Maria Wasim, Aneela Sabir, Muhammad Shafiq, Syed Abdul Basit Shah, Maoz Maoz, Vanni Lughi   +6 more
wiley   +1 more source

Electroactive cytochromeP450BM3 cast polyion films on graphite electrodes [PDF]

, 2006
Films of electrochemically active cytochrome P450BM3 were constructed on graphite electrodes using alternate assembly with polyethyleneimin(PEI). The original layer-by-layer adsorption method was slightly modified here to form so-called “cast polyion ...
Basséguy, Régine, Bergel, Alain, Pardo-Jacques, Aurélie   +2 more
core   +3 more sources

A Perspective on the Applications of Triphasic Gas Storage in Electrochemical Systems

Advanced Science, EarlyView.
Gas storage in microporous materials positioned locally at an electrode or electrocatalyst surface enhances electrochemical processes. Abstract Microporous materials store gases under dry conditions (e.g., hydrogen or oxygen via physisorption), but in some cases microporous materials also show triphasic (e.g., in a solid|gas|liquid system) gas storage ...
Zhongkai Li, Corin T. Scott, Taku Suzuki‐Osborne, John P. Lowe, Dominic Taylor, Mariolino Carta, Neil B. McKeown, Andrew D. Burrows, Lucia H. Mascaro, Frank Marken   +9 more
wiley   +1 more source

MYOGLOBIN CONTENT IN CARDIAC MUSCLE OF PHYSICAL EXERCISE INDUCED RAT (Rattus norvegicus)

Simbiosis: Journal of Biological Sciences, 2017
The research was aimed to analyzing the impact of 7 days arobic exercise in elevating rat cardiac muscle myoglobin. Experimental in vivo study on 20 male Wistar rat induced by 20m/ min treadmill aerobic exercise for 1, 3 and 7 days. Research was done in
Sri Rahayu, Rini Puspitaningrum, Mohammad Sadikin   +2 more
doaj  

Visible Volume: a Robust Measure for Protein Structure Characterization [PDF]

, 1997
We propose a new characterization of protein structure based on the natural tetrahedral geometry of the β carbon and a new geometric measure of structural similarity, called visible volume.
Bashford, Bernstein, Bowie, Bowie, Chothia, Chothia, Chothia, Dickerson, Gassner, Gerstein, Gregoret, Harpaz, Holm, Kabsh, Kapp, Kendrew, Lee, Lesk, Lim, Loredana Lo Conte, Orengo, Orengo, Pattibiraman, Perutz, Ptitsyn, Ramachandran, Richards, Richardson, Smith, Smith, Temple F. Smith, Wodak   +31 more
core   +2 more sources