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James C Phillips
James C Phillips
Senior Research Programmer, National Center for Supercomputing Applications, University of Illinois
Bestätigte E-Mail-Adresse bei illinois.edu - Startseite
Titel
Zitiert von
Zitiert von
Jahr
Scalable molecular dynamics with NAMD
JC Phillips, R Braun, W Wang, J Gumbart, E Tajkhorshid, E Villa, C Chipot, ...
Journal of computational chemistry 26 (16), 1781-1802, 2005
193622005
GPU computing
JD Owens, M Houston, D Luebke, S Green, JE Stone, JC Phillips
Proceedings of the IEEE 96 (5), 879-899, 2008
30402008
NAMD2: greater scalability for parallel molecular dynamics
L Kalé, R Skeel, M Bhandarkar, R Brunner, A Gursoy, N Krawetz, ...
Journal of Computational Physics 151 (1), 283-312, 1999
30401999
Scalable molecular dynamics on CPU and GPU architectures with NAMD
JC Phillips, DJ Hardy, JDC Maia, JE Stone, JV Ribeiro, RC Bernardi, ...
The Journal of chemical physics 153 (4), 2020
24262020
Accelerating molecular modeling applications with graphics processors
JE Stone, JC Phillips, PL Freddolino, DJ Hardy, LG Trabuco, K Schulten
Journal of computational chemistry 28 (16), 2618-2640, 2007
9382007
NAMD: Biomolecular simulation on thousands of processors
JC Phillips, G Zheng, S Kumar, LV Kalé
SC'02: Proceedings of the 2002 ACM/IEEE Conference on Supercomputing, 36-36, 2002
3712002
GPU clusters for high-performance computing
VV Kindratenko, JJ Enos, G Shi, MT Showerman, GW Arnold, JE Stone, ...
2009 IEEE International Conference on Cluster Computing and Workshops, 1-8, 2009
3332009
High-performance scalable molecular dynamics simulations of a polarizable force field based on classical Drude oscillators in NAMD
W Jiang, DJ Hardy, JC Phillips, AD MacKerell Jr, K Schulten, B Roux
The journal of physical chemistry letters 2 (2), 87-92, 2011
3072011
Adapting a message-driven parallel application to GPU-accelerated clusters
JC Phillips, JE Stone, K Schulten
SC'08: Proceedings of the 2008 ACM/IEEE Conference on Supercomputing, 1-9, 2008
2502008
NAMD goes quantum: an integrative suite for hybrid simulations
MCR Melo, RC Bernardi, T Rudack, M Scheurer, C Riplinger, JC Phillips, ...
Nature methods 15 (5), 351-354, 2018
2222018
QwikMD—integrative molecular dynamics toolkit for novices and experts
JV Ribeiro, RC Bernardi, T Rudack, JE Stone, JC Phillips, PL Freddolino, ...
Scientific reports 6 (1), 26536, 2016
2122016
Predicting the structure of apolipoprotein AI in reconstituted high-density lipoprotein disks
JC Phillips, W Wriggers, Z Li, A Jonas, K Schulten
Biophysical journal 73 (5), 2337-2346, 1997
2001997
Constant-pH molecular dynamics simulations for large biomolecular systems
BK Radak, C Chipot, D Suh, S Jo, W Jiang, JC Phillips, K Schulten, ...
Journal of chemical theory and computation 13 (12), 5933-5944, 2017
1832017
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics
L Casalino, AC Dommer, Z Gaieb, EP Barros, T Sztain, SH Ahn, A Trifan, ...
The International Journal of High Performance Computing Applications 35 (5 …, 2021
1792021
Molecular dynamics simulations of discoidal bilayers assembled from truncated human lipoproteins
AY Shih, IG Denisov, JC Phillips, SG Sligar, K Schulten
Biophysical journal 88 (1), 548-556, 2005
1692005
Atoms to phenotypes: molecular design principles of cellular energy metabolism
A Singharoy, C Maffeo, KH Delgado-Magnero, DJK Swainsbury, M Sener, ...
Cell 179 (5), 1098-1111. e23, 2019
1672019
Parallel generalized Born implicit solvent calculations with NAMD
DE Tanner, KY Chan, JC Phillips, K Schulten
Journal of chemical theory and computation 7 (11), 3635-3642, 2011
1632011
Generalized scalable multiple copy algorithms for molecular dynamics simulations in NAMD
W Jiang, JC Phillips, L Huang, M Fajer, Y Meng, JC Gumbart, Y Luo, ...
Computer physics communications 185 (3), 908-916, 2014
1472014
Scalable molecular dynamics with NAMD on the IBM Blue Gene/L system
S Kumar, C Huang, G Zheng, E Bohm, A Bhatele, JC Phillips, H Yu, ...
IBM Journal of Research and Development 52 (1.2), 177-188, 2008
1362008
Molecular dynamics study of bacteriorhodopsin and the purple membrane
J Baudry, E Tajkhorshid, F Molnar, J Phillips, K Schulten
The Journal of Physical Chemistry B 105 (5), 905-918, 2001
1322001
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