发布求助
文献互助 智能选刊 最新文献

Proceedings of the International Conference "Mathematical Biology and Bioinformatics"最新文献

筛选
英文 中文
Identification of soil methane oxidation activity by inverse modelling 利用反演模型识别土壤甲烷氧化活性
Proceedings of the International Conference "Mathematical Biology and Bioinformatics" Pub Date : 2018-11-07 DOI: 10.17537/ICMBB18.77
A. Sabrekov, M. Glagolev, I. Terentieva, S. Y. Mochenov
{"title":"Identification of soil methane oxidation activity by inverse modelling","authors":"A. Sabrekov, M. Glagolev, I. Terentieva, S. Y. Mochenov","doi":"10.17537/ICMBB18.77","DOIUrl":"https://doi.org/10.17537/ICMBB18.77","url":null,"abstract":"Рассмотрена обратная задача вычисления переменной по глубине константы окисления метана, поступающего из атмосферы, в непереувлажнённых почвах. На основании регуляризации Тихонова предложен алгоритм решения этой некорректной по Адамару задачи с использованием сравнительно просто получаемых полевых данных: профилей концентрации метана в почве, а также профилей объёмной влажности, общей пористости и температуры почвы. Алгоритм основан на решении эллиптического уравнения четвёртого порядка с помощью метода пятидиагональной прогонки. Проведено сопоставление результатов численного восстановления константы окисления метана и её значений, измеренных в лабораторном эксперименте с образцами почвы. Соответствие оказалось удовлетворительным (R 2 = 0.75, n = 24). Несколько сравнительно небольших по модулю восстановленных значений константы окисления метана оказались отрицательными, в то время как все лабораторные значения были положительными. В целом, восстановленные значения константы окисления метана оказались более чем в полтора раза выше, чем лабораторные значения. Это может быть связано как с погрешностью предложенного алгоритма восстановления, так и с тем, что в лабораторных экспериментах не учитывалась метанотрофия на корнях растений.","PeriodicalId":168323,"journal":{"name":"Proceedings of the International Conference \"Mathematical Biology and Bioinformatics\"","volume":"73 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134011560","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The role of electrostatic interactions in the binding of psychotropic drugs to NMDA receptor according to computer simulation 静电相互作用在精神药物与NMDA受体结合中的作用
Proceedings of the International Conference "Mathematical Biology and Bioinformatics" Pub Date : 2018-11-07 DOI: 10.17537/ICMBB18.57
N. Shestakova, O. I. Barygin, D. Belinskaia
{"title":"The role of electrostatic interactions in the binding of psychotropic drugs to NMDA receptor according to computer simulation","authors":"N. Shestakova, O. I. Barygin, D. Belinskaia","doi":"10.17537/ICMBB18.57","DOIUrl":"https://doi.org/10.17537/ICMBB18.57","url":null,"abstract":"","PeriodicalId":168323,"journal":{"name":"Proceedings of the International Conference \"Mathematical Biology and Bioinformatics\"","volume":"331 ","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133357564","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evolution of electron energy under trapping by mobile discrete breathers in DNA with fixed ends 固定端DNA中移动离散呼吸体捕获电子能量的演化
Proceedings of the International Conference "Mathematical Biology and Bioinformatics" Pub Date : 2018-11-07 DOI: 10.17537/ICMBB18.86
V. Lakhno, K. Sergeev, A. Chetverikov
{"title":"Evolution of electron energy under trapping by mobile discrete breathers in DNA with fixed ends","authors":"V. Lakhno, K. Sergeev, A. Chetverikov","doi":"10.17537/ICMBB18.86","DOIUrl":"https://doi.org/10.17537/ICMBB18.86","url":null,"abstract":"","PeriodicalId":168323,"journal":{"name":"Proceedings of the International Conference \"Mathematical Biology and Bioinformatics\"","volume":"366 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122317189","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Identification of antimicrobial peptides in Lycopersicon esculentum genome 番茄基因组抗菌肽的鉴定
Proceedings of the International Conference "Mathematical Biology and Bioinformatics" Pub Date : 2018-11-07 DOI: 10.17537/ICMBB18.13
A. Kovtun, E. Istomina, M. Slezina, T. Odintsova
{"title":"Identification of antimicrobial peptides in Lycopersicon esculentum genome","authors":"A. Kovtun, E. Istomina, M. Slezina, T. Odintsova","doi":"10.17537/ICMBB18.13","DOIUrl":"https://doi.org/10.17537/ICMBB18.13","url":null,"abstract":"Antimicrobial peptides (AMPs) constitute an important part of the plant immune system protecting plants from the invading pathogens. Some antimicrobial peptides are also active against human pathogenic microorganisms, including antibiotic-resistant strains that makes these molecules promising candidates for the design of next-generation drugs to treat infections. Plants represent a valuable source of effective yet poorly explored antimicrobial peptides. An efficient pipeline for highthroughput in silico detection of antimicrobial peptides in Lycopersicon esculentum genome has been developed. As many as 66 putative AMPs were revealed in L. esculentum genome. The discovered AMPs belong to four AMP families: defensins, thionins, lipid-transfer proteins, and hevein-type peptides. The vast majority of newly discovered peptides have not been annotated in L. esculentum genome so far. Further functional analysis of detected AMPs will evaluate their potential as novel drug leads and biopesticides for practical application in agriculture and medicine.","PeriodicalId":168323,"journal":{"name":"Proceedings of the International Conference \"Mathematical Biology and Bioinformatics\"","volume":"36 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122339274","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Hydrogen Bonds and Local Ordering of Water Molecules 氢键与水分子的局部有序
Proceedings of the International Conference "Mathematical Biology and Bioinformatics" Pub Date : 2018-11-07 DOI: 10.17537/ICMBB18.34
A. Teplukhin
{"title":"Hydrogen Bonds and Local Ordering of Water Molecules","authors":"A. Teplukhin","doi":"10.17537/ICMBB18.34","DOIUrl":"https://doi.org/10.17537/ICMBB18.34","url":null,"abstract":"Методом Монте-Карло рассчитаны структурные и энергетические характеристики модели воды большого размера (33666 молекул воды SPC/E) при атмосферном давлении и температуре 290 K. Основное внимание отведено структурной интерпретации значений локальной плотности воды в слоях, удаленных от ее молекул на 3–5 Å. Анализ распределения расстояний между молекулами воды, соединенными цепочкой из двух и более водородных связей, указывает на то, что основную долю молекул, заполняющих область между первым и вторым пиком функции радиального распределения атомов кислорода, дают вторые и, в меньшей степени, третьи соседи по цепочке связей.","PeriodicalId":168323,"journal":{"name":"Proceedings of the International Conference \"Mathematical Biology and Bioinformatics\"","volume":"20 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125063216","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Implementation of partially automated calculations on hybrid supercomputers in the modelling of charge transfer in quasi-one-dimensional molecular chains 准一维分子链中电荷转移模型在混合超级计算机上部分自动化计算的实现
Proceedings of the International Conference "Mathematical Biology and Bioinformatics" Pub Date : 2018-11-07 DOI: 10.17537/ICMBB18.66
M. I. Pyatkov, A. Zaytsev, M. Olshevets, N. S. Fialko
{"title":"Implementation of partially automated calculations on hybrid supercomputers in the modelling of charge transfer in quasi-one-dimensional molecular chains","authors":"M. I. Pyatkov, A. Zaytsev, M. Olshevets, N. S. Fialko","doi":"10.17537/ICMBB18.66","DOIUrl":"https://doi.org/10.17537/ICMBB18.66","url":null,"abstract":"Точность средних зависит от числа реализаций K как K . Для решения таких задач за разумные времена требуются гибридные супер-ЭВМ. При проведении расчетов на кластере в суперкомпьютерном центре коллективного пользования появляются технические проблемы, связанные с политикой администрирования кластера, которые требуют постоянного внимания исследователя. В работе описана частичная автоматизация расчетов на гибридных супер-ЭВМ. Показана эффективность разработанных процедур при моделировании переноса заряда в биополимерах в широком диапазоне температур термостата. Разработанный комплекс программ применяется для серийных расчетов при исследованиях переноса заряда в ДНК на гибридных вычислительных комплексах K-60 и K-100 в ИПМ им. М.В. Келдыша РАН.","PeriodicalId":168323,"journal":{"name":"Proceedings of the International Conference \"Mathematical Biology and Bioinformatics\"","volume":"31 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125104504","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recognition and Study of Helical Pairs in Protein Molecules 蛋白质分子中螺旋对的识别与研究
Proceedings of the International Conference "Mathematical Biology and Bioinformatics" Pub Date : 2018-11-07 DOI: 10.17537/ICMBB18.60
D. Tikhonov, L. Kulikova, V. Rudnev, A. Efimov
{"title":"Recognition and Study of Helical Pairs in Protein Molecules","authors":"D. Tikhonov, L. Kulikova, V. Rudnev, A. Efimov","doi":"10.17537/ICMBB18.60","DOIUrl":"https://doi.org/10.17537/ICMBB18.60","url":null,"abstract":"","PeriodicalId":168323,"journal":{"name":"Proceedings of the International Conference \"Mathematical Biology and Bioinformatics\"","volume":"12 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125643289","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Methods of working with dynamic molecular models, built in an environment of open 3D editor Blender 方法与动态分子模型的工作，建立在一个开放的3D编辑器Blender的环境
Proceedings of the International Conference "Mathematical Biology and Bioinformatics" Pub Date : 2018-11-07 DOI: 10.17537/ICMBB18.62
S. Filippov
{"title":"Methods of working with dynamic molecular models, built in an environment of open 3D editor Blender","authors":"S. Filippov","doi":"10.17537/ICMBB18.62","DOIUrl":"https://doi.org/10.17537/ICMBB18.62","url":null,"abstract":"","PeriodicalId":168323,"journal":{"name":"Proceedings of the International Conference \"Mathematical Biology and Bioinformatics\"","volume":"1130 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129593441","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 6
Computer modeling and studies of the polymer ferroelectrics/graphene nano-composites 聚合物铁电体/石墨烯纳米复合材料的计算机建模与研究
Proceedings of the International Conference "Mathematical Biology and Bioinformatics" Pub Date : 2018-11-07 DOI: 10.17537/ICMBB18.3
V. Bystrov, I. Bdikin, M. Silibin, D. Karpinsky, X. Meng, T. Lin, B. Tian, J. Wang, A. Bystrova, E. Paramonova
{"title":"Computer modeling and studies of the polymer ferroelectrics/graphene nano-composites","authors":"V. Bystrov, I. Bdikin, M. Silibin, D. Karpinsky, X. Meng, T. Lin, B. Tian, J. Wang, A. Bystrova, E. Paramonova","doi":"10.17537/ICMBB18.3","DOIUrl":"https://doi.org/10.17537/ICMBB18.3","url":null,"abstract":"","PeriodicalId":168323,"journal":{"name":"Proceedings of the International Conference \"Mathematical Biology and Bioinformatics\"","volume":"22 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128992914","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Distributed realization of parallel algorithm for global alignment of long sequences 长序列全局对齐并行算法的分布式实现
Proceedings of the International Conference "Mathematical Biology and Bioinformatics" Pub Date : 2018-11-07 DOI: 10.17537/ICMBB18.92
A. Pankratov, R. K. Tetuev, M. Pyatkov
{"title":"Distributed realization of parallel algorithm for global alignment of long sequences","authors":"A. Pankratov, R. K. Tetuev, M. Pyatkov","doi":"10.17537/ICMBB18.92","DOIUrl":"https://doi.org/10.17537/ICMBB18.92","url":null,"abstract":"Distributed realization of parallel global alignment algorithm is proposed. The goal of this work is to collect the best practices and to build the most general model of a pairwise global alignment with the possibility of aligning as long sequences as possible. As a result, the versatile algorithm for global alignment is constructed on the basis of parallel implementation FastLSA of the Needleman–Wunsch algorithm with an arbitrary matrix of substitutions and Gotoh algorithm for the affine system of penalties for gaps. The main feature of the algorithm is low memory consumption. The algorithm is implemented in the Javascript programming language as web application. Distributed computing is implemented in the PHP programming language and is produced on clients that use this web service.","PeriodicalId":168323,"journal":{"name":"Proceedings of the International Conference \"Mathematical Biology and Bioinformatics\"","volume":"258 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124236343","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
首页 上一页
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整，为了账户安全，请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们：info@booksci.cn Book学术提供免费学术资源搜索服务，方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号：481959085
Book学术官方微信