مقاله‌های دارای تعهدات انتشار عمومی - Jonathan Barnoudبیشتر بدانید
جای دیگری دردسترس نیست: یک
Narupa iMD: a VR-enabled multiplayer framework for streaming interactive molecular simulations
AD Jamieson-Binnie, MB O'Connor, J Barnoud, MD Wonnacott, ...
ACM SIGGRAPH 2020 immersive pavilion, 1-2, 2020
تعهدات: UK Biotechnology and Biological Sciences Research Council, UK Engineering …
جای دیگری دردسترس است: ۲۵
MDAnalysis: a Python package for the rapid analysis of molecular dynamics simulations
RJ Gowers, M Linke, J Barnoud, TJE Reddy, MN Melo, SL Seyler, ...
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States), 2019
تعهدات: US National Science Foundation, US Department of Energy, Canadian Institutes …
Martini 3: a general purpose force field for coarse-grained molecular dynamics
PCT Souza, R Alessandri, J Barnoud, S Thallmair, I Faustino, ...
Nature methods 18 (4), 382-388, 2021
تعهدات: US National Institutes of Health, Natural Sciences and Engineering Research …
Free energy of WALP23 dimer association in DMPC, DPPC, and DOPC bilayers
N Castillo, L Monticelli, J Barnoud, DP Tieleman
Chemistry and physics of lipids 169, 95-105, 2013
تعهدات: Canadian Institutes of Health Research
Martini 3 coarse‐grained force field: small molecules
R Alessandri, J Barnoud, AS Gertsen, I Patmanidis, AH de Vries, ...
Advanced Theory and Simulations 5 (1), 2100391, 2022
تعهدات: Netherlands Organisation for Scientific Research, UK Engineering and …
Protein flexibility in the light of structural alphabets
P Craveur, AP Joseph, J Esque, TJ Narwani, F Noël, N Shinada, ...
Frontiers in molecular biosciences 2, 20, 2015
تعهدات: US National Institutes of Health, National Institute of Health and Medical …
Hydrophobic compounds reshape membrane domains
J Barnoud, G Rossi, SJ Marrink, L Monticelli
PLoS Computational Biology 10 (10), e1003873, 2014
تعهدات: National Institute of Health and Medical Research, France
Titratable Martini model for constant pH simulations
F Grünewald, PCT Souza, H Abdizadeh, J Barnoud, AH de Vries, ...
The Journal of chemical physics 153 (2), 2020
تعهدات: Netherlands Organisation for Scientific Research, UK Engineering and …
Piezo1 forms specific, functionally important interactions with phosphoinositides and cholesterol
A Buyan, CD Cox, J Barnoud, J Li, HSM Chan, B Martinac, SJ Marrink, ...
Biophysical journal 119 (8), 1683-1697, 2020
تعهدات: Australian Research Council, National Health and Medical Research Council …
Capturing choline–aromatics cation− π interactions in the MARTINI force field
HM Khan, PCT Souza, S Thallmair, J Barnoud, AH De Vries, SJ Marrink, ...
Journal of chemical theory and computation 16 (4), 2550-2560, 2020
تعهدات: European Commission, Research Council of Norway
Interactive molecular dynamics in virtual reality is an effective tool for flexible substrate and inhibitor docking to the SARS-CoV-2 main protease
HM Deeks, RK Walters, J Barnoud, DR Glowacki, AJ Mulholland
Journal of chemical information and modeling 60 (12), 5803-5814, 2020
تعهدات: UK Biotechnology and Biological Sciences Research Council, UK Engineering …
PBxplore: a tool to analyze local protein structure and deformability with Protein Blocks
J Barnoud, H Santuz, P Craveur, AP Joseph, V Jallu, AG de Brevern, ...
PeerJ 5, e4013, 2017
تعهدات: National Institute of Health and Medical Research, France, Department of …
Resolving donor–acceptor interfaces and charge carrier energy levels of organic semiconductors with polar side chains
R Alessandri, S Sami, J Barnoud, AH de Vries, SJ Marrink, RWA Havenith
Advanced Functional Materials 30 (46), 2004799, 2020
تعهدات: Netherlands Organisation for Scientific Research
Sharing data from molecular simulations
M Abraham, R Apostolov, J Barnoud, P Bauer, C Blau, AMJJ Bonvin, ...
Journal of chemical information and modeling 59 (10), 4093-4099, 2019
تعهدات: US National Science Foundation, German Research Foundation, Academy of …
C60 fullerene promotes lung monolayer collapse
J Barnoud, L Urbini, L Monticelli
Journal of The Royal Society Interface 12 (104), 20140931, 2015
تعهدات: National Institute of Health and Medical Research, France
Alcohol interactions with lipid bilayers
T Kondela, J Gallová, T Hauß, J Barnoud, SJ Marrink, N Kučerka
Molecules 22 (12), 2078, 2017
تعهدات: Helmholtz Association, Netherlands Organisation for Scientific Research
Dual resolution membrane simulations using virtual sites
Y Liu, AH De Vries, J Barnoud, W Pezeshkian, J Melcr, SJ Marrink
The Journal of Physical Chemistry B 124 (19), 3944-3953, 2020
تعهدات: Netherlands Organisation for Scientific Research
Martini 3 coarse-grained force field for cholesterol
L Borges-Araújo, AC Borges-Araújo, TN Ozturk, DP Ramirez-Echemendia, ...
Journal of Chemical Theory and Computation 19 (20), 7387-7404, 2023
تعهدات: US Department of Energy, Natural Sciences and Engineering Research Council …
The emerging potential of interactive virtual reality in drug discovery
RK Walters, EM Gale, J Barnoud, DR Glowacki, AJ Mulholland
Expert Opinion on Drug Discovery 17 (7), 685-698, 2022
تعهدات: UK Biotechnology and Biological Sciences Research Council, UK Engineering …
Size-dependent aggregation of hydrophobic nanoparticles in lipid membranes
E Lavagna, J Barnoud, G Rossi, L Monticelli
Nanoscale 12 (17), 9452-9461, 2020
تعهدات: National Institute of Health and Medical Research, France, Netherlands …
اطلاعات انتشارات و تأمین بودجه به‌طورخودکار توسط برنامه رایانه‌ای تعیین می‌شود.