Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Wei P. Feinstein"'
Autor:
Ye Fang, Yun Ding, Wei P Feinstein, David M Koppelman, Juana Moreno, Mark Jarrell, J Ramanujam, Michal Brylinski
Publikováno v:
PLoS ONE, Vol 11, Iss 7, p e0158898 (2016)
Computational modeling of drug binding to proteins is an integral component of direct drug design. Particularly, structure-based virtual screening is often used to perform large-scale modeling of putative associations between small organic molecules
Externí odkaz:
https://doaj.org/article/30d37a33a48d4be3bda9c6973febbef4
Autor:
Michal Brylinski, Wei P. Feinstein
Publikováno v:
Current Drug Targets. 17:1595-1609
Computer-aided design is one of the critical components of modern drug discovery. Drug development is routinely streamlined using computational approaches to improve hit identification and lead selection, enhance bioavailability, and reduce toxicity.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::22a57fe4026c7bd11f67832f24605022
https://doi.org/10.2174/1389450117666160112112854
https://doi.org/10.2174/1389450117666160112112854
Autor:
Rajiv Gandhi Govindaraj, Omar Zade Kana, Wei P. Feinstein, Misagh Naderi, Jeffrey Mitchell Lemoine, Michal Brylinski
Interactions between proteins and small molecules are critical for biological functions. These interactions often occur in small cavities within protein structures, known as ligand-binding pockets. Understanding the physicochemical qualities of bindi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f740216ca619b6bea0d483a2b6ee4ba2
https://europepmc.org/articles/PMC6954434/
https://europepmc.org/articles/PMC6954434/
Autor:
Wei P. Feinstein, Silas J. Leavesley, Wenkuan Xin, Cristhiaan D. Ochoa, Bing Zhu, Andrea L. Britain, Wito Richter, Thomas C. Rich
Publikováno v:
American Journal of Physiology-Cell Physiology. 309:C415-C424
Recent studies have demonstrated that functionally discrete pools of phosphodiesterase (PDE) activity regulate distinct cellular functions. While the importance of localized pools of enzyme activity has become apparent, few studies have estimated enz
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::38459ab0d08ee1bd67a238ebf95a99f1
https://doi.org/10.1152/ajpcell.00090.2015
https://doi.org/10.1152/ajpcell.00090.2015
GeauxDock: A novel approach for mixed-resolution ligand docking using a descriptor-based force field
Autor:
Mark Jarrell, Michal Brylinski, Juana Moreno, J. Ramanujam, David M. Koppelman, Yun Ding, Wei P. Feinstein, Ye Fang
Publikováno v:
Journal of Computational Chemistry. 36:2013-2026
Molecular docking is an important component of computer-aided drug discovery. In this communication, we describe GeauxDock, a new docking approach that builds on the ideas of ligand homology modeling. GeauxDock features a descriptor-based scoring fun
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fbfa07c56ecd565646ae6b1a9ad43e16
https://doi.org/10.1002/jcc.24031
https://doi.org/10.1002/jcc.24031
Publikováno v:
IEEE Transactions on NanoBioscience. 14:429-439
Intel Xeon Phi is a new addition to the family of powerful parallel accelerators. The range of its potential applications in computationally driven research is broad; however, at present, the repository of scientific codes is still relatively limited
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c931a62e63afacb3a3570dea8f4f355b
https://doi.org/10.1109/tnb.2015.2403776
https://doi.org/10.1109/tnb.2015.2403776
Autor:
Wei P. Feinstein, Michal Brylinski
Publikováno v:
Journal of Computer-Aided Molecular Design. 27:551-567
Molecular structures and functions of the majority of proteins across different species are yet to be identified. Much needed functional annotation of these gene products often benefits from the knowledge of protein–ligand interactions. Towards thi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ecc7183582c2904462e1401b0bf286e7
https://doi.org/10.1007/s10822-013-9663-5
https://doi.org/10.1007/s10822-013-9663-5
Autor:
J. Ramanujam, Yun Ding, Juana Moreno, Mark Jarrell, Wei P. Feinstein, Ye Fang, Michal Brylinski, David M. Koppelman
Publikováno v:
PLoS ONE
PLoS ONE, Vol 11, Iss 7, p e0158898 (2016)
PLoS ONE, Vol 11, Iss 7, p e0158898 (2016)
Computational modeling of drug binding to proteins is an integral component of direct drug design. Particularly, structure-based virtual screening is often used to perform large-scale modeling of putative associations between small organic molecules
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aa0500b8a46d402eb823e45477e29f17
https://pubmed.ncbi.nlm.nih.gov/27420300
https://pubmed.ncbi.nlm.nih.gov/27420300
Publikováno v:
American Journal of Physiology-Cell Physiology. 302:C839-C852
Cyclic AMP signals encode information required to differentially regulate a wide variety of cellular responses; yet it is not well understood how information is encrypted within these signals. An emerging concept is that compartmentalization underlie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0f681dfa03633f4e7626c5244454c77e
https://doi.org/10.1152/ajpcell.00361.2011
https://doi.org/10.1152/ajpcell.00361.2011
Autor:
Jefferson Amstutz, Cedric Andreolli, Meenakshi Arunachalam, Gaurav Bansal, Martin Berzins, Paul Besl, Ashraf Bhuiyan, Stephen Blair-Chappell, Leonardo Borges, James P. Briggs, Mikhail Brinskiy, Michal Brylinski, Vlad Calina, James Dinan, Jussi Enkovaara, Rob Farber, Julia Fedorova, Wei P. Feinstein, Evan Felix, James R. Fergusson, Evgeny Fiksman, Indraneil Gokhale, Christiaan Gribble, Diana Guttman, Tom Henderson, John Holmen, Allen H.-L. Huang, Bormin Huang, Alan Humphrey, Juha Jäykkä, Jim Jeffers, Ashish Jha, Bálint Joó, Dhiraj D. Kalamkar, Mahmut Taylan Kandemir, Rahul Khanna, Taylor Kidd, Jeongnim Kim, Michael Klemm, Shuo Li, Yongchao Liu, Belinda Liviero, Mark Lubin, Luke Mason, Zakhar A. Matveev, Lawrence Meadows, John Michalakes, Jarno Mielikainen, Ravi A. Murty, Perri Needham, Chris J. Newburn, Matthias Noack, Enda O'Brien, Klaus-Dieter Oertel, Simon J. Pennycook, Dmitry Prohorov, Narayan Ranganathan, George M. Raskulinec, James Reinders, Bertil Schmidt, Michael Seaton, Edward P. Shellard, Mikhail Smelyanskiy, Paulo Souza, Dan Stanzione, Philippe Thierry, Prashanth Thinakaran, Karthikeyan Vaidyanathan, Sergei Vinogradov, Ross C. Walker, Florian Wende, Freddie Witherden, Praveen Yedlapalli
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8b26b82ab664a3994be005188c3e9903
https://doi.org/10.1016/b978-0-12-803819-2.09998-5
https://doi.org/10.1016/b978-0-12-803819-2.09998-5