Zobrazeno 1 - 10
of 11
pro vyhledávání: '"Shawn Witham"'
Publikováno v:
Communications in Computational Physics. 13:269-284
Here we report a web server, the DelPhi web server, which utilizes DelPhi program to calculate electrostatic energies and the corresponding electrostatic potential and ionic distributions, and dielectric map. The server provides extra services to fix
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::78a91a74d8c4aa1cac2fb38c0e5dfbdb
https://doi.org/10.4208/cicp.300611.201011s
https://doi.org/10.4208/cicp.300611.201011s
Autor:
Wei Yang, Shawn Witham, Lin Wang, Daquan Gao, Emil Alexov, Kemper Talley, Zhe Zhang, Subhra Sarkar
Publikováno v:
Proteins: Structure, Function, and Bioinformatics. 79:3389-3399
Accurate predictions of pKa values of titratable groups require taking into account all relevant processes associated with the ionization/deionization. Frequently, however, the ionization does not involve significant structural changes and the domina
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3b1573476d55a381cb397aa66a14c7e8
https://doi.org/10.1002/prot.23097
https://doi.org/10.1002/prot.23097
DelPhi web server v2: incorporating atomic-style geometrical figures into the computational protocol
Publikováno v:
Bioinformatics. 28:1655-1657
Summary: A new edition of the DelPhi web server, DelPhi web server v2, is released to include atomic presentation of geometrical figures. These geometrical objects can be used to model nano-size objects together with real biological macromolecules. T
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::765dfa9931c75dc974367746b425f7f3
https://doi.org/10.1093/bioinformatics/bts200
https://doi.org/10.1093/bioinformatics/bts200
Autor:
Gautier Moroy, Marharita Petukh, Maria A. Miteva, Zhe Zhang, Emil Alexov, Shawn Witham, Yoshihiko Ikeguchi
Background and significance Intellectual disability is a condition characterized by significant limitations in cognitive abilities and social/behavioral adaptive skills and is an important reason for pediatric, neurologic, and genetic referrals. Appr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f14b3daeb230d9ffb5a0f399dceac28f
https://europepmc.org/articles/PMC3721167/
https://europepmc.org/articles/PMC3721167/
Autor:
Emil Alexov, Roger E. Stevenson, Charles E. Schwartz, Alka Chaubey, Philip G. Board, Shawn Witham, Angela F. Dulhunty, Patrick S. Tarpey, Kyoko Takano, Dan Liu, Alex Lam, Esther M. Gallant
Publikováno v:
Human molecular genetics. 21(20)
Chloride intracellular channel 2 (CLIC2) protein is a member of the glutathione transferase class of proteins. Its' only known function is the regulation of ryanodine receptor (RyR) intracellular Ca(2+) release channels. These RyR proteins play a maj
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0adf8cb47def1aad8052916f12d4eef1
https://pubmed.ncbi.nlm.nih.gov/22814392
https://pubmed.ncbi.nlm.nih.gov/22814392
Experimental data shows that the binding of human prolactin (hPRL) to human prolactin receptor (hPRLr-ECD) is strongly pH-dependent, while the binding of the same receptor to human growth hormone (hGH) is pH-independent. Here we carry in silico analy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a87d1d414de8b19d35dc3ce07736c7a2
https://europepmc.org/articles/PMC3966486/
https://europepmc.org/articles/PMC3966486/
Autor:
Emil Alexov, Chuan Li, Jie Zhang, Lin Wang, Lin Li, Shawn Witham, Marharyta Petukh, Nicholas Smith, Subhra Sarkar, Zhe Zhang
Publikováno v:
BMC Biophysics, Vol 5, Iss 1, p 9 (2012)
BMC Biophysics
BMC Biophysics
Background Accurate modeling of electrostatic potential and corresponding energies becomes increasingly important for understanding properties of biological macromolecules and their complexes. However, this is not an easy task due to the irregular sh
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::01eb2ccd95e847e79ef24577b4f93c16
https://doi.org/10.1186/2046-1682-5-9
https://doi.org/10.1186/2046-1682-5-9
Large-scale next generation resequencing of X chromosome genes identified a missense mutation in the CLIC2 gene on Xq28 in a male with X-linked intellectual disability (XLID) and not found in healthy individuals. At the same time, numerous nsSNPs (no
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ae26130ce95bb6bbefd619484bf6265b
https://europepmc.org/articles/PMC3132293/
https://europepmc.org/articles/PMC3132293/
Autor:
Shawn, Witham, Kemper, Talley, Lin, Wang, Zhe, Zhang, Subhra, Sarkar, Daquan, Gao, Wei, Yang, Emil, Alexov
Publikováno v:
Proteins. 79(12)
Accurate predictions of pKa values of titratable groups require taking into account all relevant processes associated with the ionization/deionization. Frequently, however, the ionization does not involve significant structural changes and the domina
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::b540dac33c6f516d38f3af4e0dc43d06
https://pubmed.ncbi.nlm.nih.gov/21744395
https://pubmed.ncbi.nlm.nih.gov/21744395
Publikováno v:
Physical Biology. 8:035001
The role of electrostatics on protein-protein interactions and binding is reviewed in this article. A brief outline of the computational modeling, in the framework of continuum electrostatics, is presented and basic electrostatic effects occurring up
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c63a159bb9462c3ade7c19cbd110f742
https://doi.org/10.1088/1478-3975/8/3/035001
https://doi.org/10.1088/1478-3975/8/3/035001