Results 81 to 90 of about 34,814 (245)

Thermodynamics and Kinetics of Nucleic Acids Folding

, 2023
[spa] En este trabajo doctoral se han investigado las propiedades termodinámicas y cinéticas de los ácidos nucleicos. El principal objetivo era el estudio de los mecanismos de plegamiento que se llevan a cabo en la hibridación de moléculas de ADN y ARN y su caracterización energética. La tesis está organizada en cuatro partes principales. En la Parte I,
openaire   +2 more sources

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Identification of Amino Acid Sequences with Good Folding Properties in an Off-Lattice Model

, 1997
Folding properties of a two-dimensional toy protein model containing only two amino-acid types, hydrophobic and hydrophilic, respectively, are analyzed. An efficient Monte Carlo procedure is employed to ensure that the ground states are found.
A. Bairoch, A. Irbäck, A. Irbäck, A. ̆Sali, Anders Irbäck, C. Peterson, C.J. Camacho, Carsten Peterson, E. Marinari, F.H. Stillinger, Frank Potthast, G. Iori, H.S. Chan, J. Hertz, J.D. Bryngelson, M. Fukugita, N.A. Metropolis, N.D. Socci, S. Duane   +18 more
core   +3 more sources

Coarse-grained simulations of RNA and DNA duplexes

, 2013
Although RNAs play many cellular functions little is known about the dynamics and thermodynamics of these molecules. In principle, all-atom molecular dynamics simulations can investigate these issues, but with current computer facilities, these ...
Cragnolini, Tristan, Derreumaux, Philippe, Pasquali, Samuela   +2 more
core   +4 more sources

Encapsulation of a polymer by an icosahedral virus

, 2010
The coat proteins of many viruses spontaneously form icosahedral capsids around nucleic acids or other polymers. Elucidating the role of the packaged polymer in capsid formation could promote biomedical efforts to block viral replication and enable use ...
Elrad, Oren M., Hagan, Michael F.
core   +1 more source

Primordial RNA Replication and Applications in PCR Technology [PDF]

, 2013
The emergence of self-replication and information transmission in life's origin remains unexplained despite extensive research on the topic. A hypothesis explaining the transition from a simple organic world to a complex RNA world is offered here based ...
Palasek, Stan
core  

Thermodynamics of nucleic acids

Drug Delivery System, 2021
openaire   +2 more sources

Green Fuel Combustion Synthesis of CeO2 and Ag/CeO2 Nanoparticles for Photocatalytic and Antibacterial Applications

Asia-Pacific Journal of Chemical Engineering, EarlyView.
ABSTRACT Silver‐doped cerium oxide nanoparticles (Ag/CeO2 NPs) were synthesized using Ricinus communis seed extract as a bio‐derived fuel in a solution combustion method. The combustion reaction, carried out at 450°C with AgNO3 and (NH4)2[Ce (NO3)6] as metal precursors, produced CeO2 and Ag/CeO2 NPs.
T. N. Ravishankar, J. R. Adarsha, R. Mohan Reddy, S. Harisha, A. Ananda, B. M. Shilpa   +5 more
wiley   +1 more source

Vacancy defect‐induced electron homing breaks phosphodiester bonds for RNA depletion‐driven cancer therapy

BMEMat, EarlyView.
Illustration of 5% S‐vacancy Bi2S3 mediated phosphodiester bonds cleavage in RNA of hepatocellular carcinoma cells, which suppressing ERI3 expression, inhibiting cell proliferation and promoting apoptosis. Abstract Genome‐wide hypertranscription is a hallmark of malignant progression.
Chuncheng Yang, Zehao Shen, Guangming Xiang, Zhe Liu, Huaxin Liu, Jiabei Li, Ao Wang, Yelin Wu, Peiran Zhao, Xingwu Jiang, Jinghan Wang, Xiaoqing Jiang, Wenbo Bu   +12 more
wiley   +1 more source

Atomically precise metal cluster enzymes for pathological tissue regeneration

BMEMat, EarlyView.
Schematic illustration of atomically precise metal cluster enzymes (MCEs) for pathological tissue regeneration. Atomically precise MCEs can modulate biological processes, such as attenuation of inflammatory responses, eradication of bacterial pathogens, regulation of angiogenesis, and promotion of cell development.
Ziqiang Xiong, Zhifeng Shi, Mengqing Li, Jien Han, Haoyan Chen, Maofei Ran, Shaojian Zhong, Limin Ma, Chengyun Ning, Youzhun Fan, Zhenghua Tang, Peng Yu   +11 more
wiley   +1 more source