Deep Learning in Drug Design: Protein-Ligand Binding Affinity Prediction [0.03%]
基于深度学习的药物设计中的蛋白质-配体结合亲和力预测方法研究
Mohammad A Rezaei,Yanjun Li,Dapeng Wu et al.
Mohammad A Rezaei et al.
Computational drug design relies on the calculation of binding strength between two biological counterparts especially a chemical compound, i.e., a ligand, and a protein. Predicting the affinity of protein-ligand binding with reasonable acc...
Spatial Distribution of Antibiotic-Producing Bacteria in Urban Areas. A Case Study in València (Spain) [0.03%]
城市区域抗生素产生细菌的分布情况——以西班牙瓦伦西亚为例
Sergi Maicas,Jaume Segura-Garcia
Sergi Maicas
The emergence of pathogenic bacteria that are multi-resistant to antibiotics lurks in today's society. In the golden age of the discovery of new antibiotic-producing microorganisms, each contribution was a step forward, but currently the pr...
A Novel Adaptive Linear Neuron Based on DNA Strand Displacement Reaction Network [0.03%]
一种基于DNA分子反应的自适应线性神经元模型
Chengye Zou,Xiaopeng Wei,Qiang Zhang et al.
Chengye Zou et al.
Analog DNA strand displacement circuits can be used to build artificial neural network due to the continuity of dynamic behavior. In this study, DNA implementations of novel catalysis, novel degradation and adjustment reaction modules are d...
Drug-Resistant Cancer Treatment Strategies Based on the Dynamics of Clonal Evolution and PKPD Modeling of Drug Combinations [0.03%]
基于克隆进化动力学和药物组合PKPD建模的耐药癌症治疗策略
Vahideh Vakil,Wade Trappe
Vahideh Vakil
A method for determining a dosage strategy is proposed to combat drug resistance in tumor progression. The method is based on a dynamic model for the clonal evolution of cancerous cells and considers the Pharmacokinetic/Pharmacodynamic (PKP...
RNN-VirSeeker: A Deep Learning Method for Identification of Short Viral Sequences From Metagenomes [0.03%]
基于深度学习的识别宏基因组中短病毒序列的新方法RNN-VirSeeker
Fu Liu,Yan Miao,Yun Liu et al.
Fu Liu et al.
Viruses are the most abundant biological entities on earth, and play vital roles in many aspects of microbial communities. As major human pathogens, viruses have caused huge mortality and morbidity to human society in history. Metagenomic s...
Neural Network and Random Forest Models in Protein Function Prediction [0.03%]
神经网络和随机森林模型在蛋白质功能预测中的应用
Kai Hakala,Suwisa Kaewphan,Jari Bjorne et al.
Kai Hakala et al.
Over the past decade, the demand for automated protein function prediction has increased due to the volume of newly sequenced proteins. In this paper, we address the function prediction task by developing an ensemble system automatically as...
High-Throughput Screening and Quantum Mechanics for Identifying Potent Inhibitors Against Mac1 Domain of SARS-CoV-2 Nsp3 [0.03%]
用于识别SARS-CoV-2 Nsp3 Mac1结构域 potent抑制剂的高通量筛选和量子力学研究
Chandrabose Selvaraj,Dhurvas Chandrasekaran Dinesh,Umesh Panwar et al.
Chandrabose Selvaraj et al.
SARS-CoV-2 encodes the Mac1 domain within the large nonstructural protein 3 (Nsp3), which has an ADP-ribosylhydrolase activity conserved in other coronaviruses. The enzymatic activity of Mac1 makes it an essential virulence factor for the p...
BigMPI4py: Python Module for Parallelization of Big Data Objects Discloses Germ Layer Specific DNA Demethylation Motifs [0.03%]
大规模数据对象并行化的Python模块BigMPI4py及胚层特异性DNA去甲基化基序的发现
Alex M Ascension,Marcos J Arauzo-Bravo
Alex M Ascension
Parallelization in Python integrates Message Passing Interface via the mpi4py module. Since mpi4py does not support parallelization of objects greater than 231 bytes, we developed BigMPI4py, a Python module that wraps mpi4py, supporting obj...
Bayesian Modeling for Epistasis Analysis Using Data-Driven Reversible Jump [0.03%]
基于数据驱动的可逆跳跃的贝叶斯建模分析上位性效应
Daiane Aparecida Zuanetti,Luis Aparecido Milan
Daiane Aparecida Zuanetti
We propose a procedure for modeling a phenotype using QTLs which estimate the additive and dominance effects of genotypes and epistasis. The estimation of the model is implemented through a Bayesian approach which uses the data-driven rever...
On Attractor Detection and Optimal Control of Deterministic Generalized Asynchronous Random Boolean Networks [0.03%]
关于确定性广义非同步随机布尔网络的吸引子检测与最优控制问题研究
Trinh Van Giang,Kunihiko Hiraishi
Trinh Van Giang
Deterministic asynchronous Boolean networks play a crucial role in modeling and analysis of gene regulatory networks. In this paper, we focus on a typical type of deterministic asynchronous Boolean networks called deterministic generalized ...