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Klaus Schulten
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Year
VMD: visual molecular dynamics
W Humphrey, A Dalke, K Schulten
Journal of molecular graphics 14 (1), 33-38, 1996
602021996
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
190112005
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
30131999
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
21612020
Molecular biomimetics: nanotechnology through biology
M Sarikaya, C Tamerler, AKY Jen, K Schulten, F Baneyx
Nature materials 2 (9), 577-585, 2003
20592003
'Neural-gas' network for vector quantization and its application to time-series prediction
TM Martinetz, SG Berkovich, KJ Schulten
IEEE transactions on neural networks 4 (4), 558-569, 1993
20091993
A model for photoreceptor-based magnetoreception in birds
T Ritz, S Adem, K Schulten
Biophysical journal 78 (2), 707-718, 2000
13872000
The crystal structure of the light-harvesting complex II (B800–850) from Rhodospirillum molischianum
J Koepke, X Hu, C Muenke, K Schulten, H Michel
Structure 4 (5), 581-597, 1996
13451996
A" neural-gas" network learns topologies
T Martinetz, K Schulten
University of Illinois at Urbana-Champaign 1 (01), 1991
13061991
Neural Computation and Self-Organizing Maps; An Introduction
H Ritter, T Martinetz, K Schulten
Addison-Wesley Longman Publishing Co., Inc., 1992
12991992
Steered molecular dynamics and mechanical functions of proteins
B Isralewitz, M Gao, K Schulten
Current opinion in structural biology 11 (2), 224-230, 2001
12252001
Topology representing networks
T Martinetz, K Schulten
Neural Networks 7 (3), 507-522, 1994
12001994
Control of the selectivity of the aquaporin water channel family by global orientational tuning
E Tajkhorshid, P Nollert, MØ Jensen, LJW Miercke, J O'Connell, ...
Science 296 (5567), 525-530, 2002
11042002
Calculating potentials of mean force from steered molecular dynamics simulations
S Park, K Schulten
The Journal of chemical physics 120 (13), 5946-5961, 2004
10062004
Flexible fitting of atomic structures into electron microscopy maps using molecular dynamics
LG Trabuco, E Villa, K Mitra, J Frank, K Schulten
Structure 16 (5), 673-683, 2008
9732008
Mechanical unfolding intermediates in titin modules
PE Marszalek, H Lu, H Li, M Carrion-Vazquez, AF Oberhauser, ...
Nature 402 (6757), 100-103, 1999
9651999
Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics
G Zhao, JR Perilla, EL Yufenyuy, X Meng, B Chen, J Ning, J Ahn, ...
Nature 497 (7451), 643-646, 2013
9572013
Molecular dynamics study of unbinding of the avidin-biotin complex
S Izrailev, S Stepaniants, M Balsera, Y Oono, K Schulten
Biophysical journal 72 (4), 1568-1581, 1997
9481997
First passage time approach to diffusion controlled reactions
A Szabo, K Schulten, Z Schulten
The Journal of chemical physics 72 (8), 4350-4357, 1980
9361980
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
9272007
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