מאמרים עם הרשאות לגישה ציבורית - Timothy S. Carpenterלמידע נוסף
לא זמינים באתר כלשהו: 2
Multiscale modeling and simulation approaches to lipid–protein interactions
RG Huber, TS Carpenter, N Dube, DA Holdbrook, HI Ingólfsson, WA Irvine, ...
Lipid-Protein Interactions: Methods and Protocols, 1-30, 2019
הרשאות: US Department of Energy, US National Institutes of Health, UK Engineering …
Enhancing exploration of protein orientational space through integration of ultra-coarse-grained models within the MuMMI
F Aydin, K Georgouli, L Pottier, TS Carpenter, T Oppelstrup, X Zhang, ...
Biophysical Journal 123 (3), 237a-238a, 2024
הרשאות: US Department of Energy
זמינים באתר כלשהו: 41
Predicting a Drug’s Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data
BJ Bennion, NA Be, MW McNerney, V Lao, EM Carlson, CA Valdez, ...
The journal of physical chemistry B 121 (20), 5228-5237, 2017
הרשאות: US Department of Energy, US Department of Defense
Computational lipidomics of the neuronal plasma membrane
HI Ingólfsson, TS Carpenter, H Bhatia, PT Bremer, SJ Marrink, ...
Biophysical journal 113 (10), 2271-2280, 2017
הרשאות: US Department of Energy, US National Institutes of Health
Capturing phase behavior of ternary lipid mixtures with a refined martini coarse-grained force field
TS Carpenter, CA López, C Neale, C Montour, HI Ingólfsson, F Di Natale, ...
Journal of chemical theory and computation 14 (11), 6050-6062, 2018
הרשאות: US Department of Energy, US National Institutes of Health
A massively parallel infrastructure for adaptive multiscale simulations: modeling RAS initiation pathway for cancer
F Di Natale, H Bhatia, TS Carpenter, C Neale, S Kokkila-Schumacher, ...
Proceedings of the International Conference for High Performance Computing …, 2019
הרשאות: US Department of Energy, US National Institutes of Health
Machine learning–driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins
HI Ingólfsson, C Neale, TS Carpenter, R Shrestha, CA López, TH Tran, ...
Proceedings of the National Academy of Sciences 119 (1), e2113297119, 2022
הרשאות: US Department of Energy, US National Institutes of Health
The Free Energy of Small Solute Permeation through the Escherichia coli Outer Membrane Has a Distinctly Asymmetric Profile
TS Carpenter, J Parkin, S Khalid
The journal of physical chemistry letters 7 (17), 3446-3451, 2016
הרשאות: US Department of Energy, UK Engineering and Physical Sciences Research Council
GABAA receptor target of tetramethylenedisulfotetramine
C Zhao, SH Hwang, BA Buchholz, TS Carpenter, FC Lightstone, J Yang, ...
Proceedings of the National Academy of Sciences 111 (23), 8607-8612, 2014
הרשאות: US National Institutes of Health
Capturing biologically complex tissue-specific membranes at different levels of compositional complexity
HI Ingólfsson, H Bhatia, T Zeppelin, WFD Bennett, KA Carpenter, PC Hsu, ...
The Journal of Physical Chemistry B 124 (36), 7819-7829, 2020
הרשאות: US Department of Energy, US National Institutes of Health, Danish Council …
MemSurfer: A tool for robust computation and characterization of curved membranes
H Bhatia, HI Ingólfsson, TS Carpenter, FC Lightstone, PT Bremer
Journal of chemical theory and computation 15 (11), 6411-6421, 2019
הרשאות: US Department of Energy, US National Institutes of Health
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
הרשאות: US Department of Energy, Natural Sciences and Engineering Research Council …
Generalizable coordination of large multiscale workflows: challenges and learnings at scale
H Bhatia, F Di Natale, JY Moon, X Zhang, JR Chavez, F Aydin, C Stanley, ...
Proceedings of the International Conference for High Performance Computing …, 2021
הרשאות: US Department of Energy, US National Institutes of Health
Simulations of asymmetric membranes illustrate cooperative leaflet coupling and lipid adaptability
M Blumer, S Harris, M Li, L Martinez, M Untereiner, PN Saeta, ...
Frontiers in Cell and Developmental Biology 8, 575, 2020
הרשאות: US Department of Energy
ddcMD: A fully GPU-accelerated molecular dynamics program for the Martini force field
X Zhang, S Sundram, T Oppelstrup, SIL Kokkila-Schumacher, ...
The Journal of Chemical Physics 153 (4), 2020
הרשאות: US Department of Energy, US National Institutes of Health
Encapsulin carrier proteins for enhanced expression of antimicrobial peptides
TH Lee, TS Carpenter, P D'haeseleer, DF Savage, MC Yung
Biotechnology and Bioengineering 117 (3), 603-613, 2020
הרשאות: US Department of Energy
The biodistribution and pharmacokinetics of the oxime acetylcholinesterase reactivator RS194B in guinea pigs
MA Malfatti, HA Enright, AB Nicholas, EA Kuhn, S Hok, MW McNerney, ...
Chemico-biological interactions 277, 159-167, 2017
הרשאות: US Department of Energy, US National Institutes of Health
Machine-learning-based dynamic-importance sampling for adaptive multiscale simulations
H Bhatia, TS Carpenter, HI Ingólfsson, G Dharuman, P Karande, S Liu, ...
Nature Machine Intelligence 3 (5), 401-409, 2021
הרשאות: US Department of Energy, US National Institutes of Health
Re-directing bacterial microcompartment systems to enhance recombinant expression of lysis protein E from bacteriophage ϕX174 in Escherichia coli
MC Yung, FA Bourguet, TS Carpenter, MA Coleman
Microbial cell factories 16, 1-17, 2017
הרשאות: US Department of Energy
Machine learning-driven multiscale modeling: bridging the scales with a next-generation simulation infrastructure
HI Ingólfsson, H Bhatia, F Aydin, T Oppelstrup, CA López, LG Stanton, ...
Journal of Chemical Theory and Computation 19 (9), 2658-2675, 2023
הרשאות: US Department of Energy, US National Institutes of Health
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