Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Perri Needham"'
Publikováno v:
Andersen, O J, Grouleff, J, Needham, P, Walker, R C & Jensen, F 2015, ' Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins ', Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol. 119, no. 46, pp. 14594-14603 . https://doi.org/10.1021/acs.jpcb.5b07816
Current enhanced sampling molecular dynamics methods for studying large conformational changes in proteins suffer from certain limitations. These include, among others, the need for user defined collective variables, the prerequisite of both start an
Publikováno v:
Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::85ca67254c6cf574090ad5d593678f5f
https://doi.org/10.1002/9781118670712.ch1
https://doi.org/10.1002/9781118670712.ch1
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