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Klaus Schulten
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VMD: visual molecular dynamics
W Humphrey, A Dalke, K Schulten
Journal of molecular graphics 14 (1), 33-38, 1996
486481996
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
173362005
NAMD2: greater scalability for parallel molecular dynamics
L Kal, R Skeel, M Bhandarkar, R Brunner, A Gursoy, N Krawetz, ...
Journal of Computational Physics 151 (1), 283-312, 1999
28661999
Molecular biomimetics: nanotechnology through biology
M Sarikaya, C Tamerler, AKY Jen, K Schulten, F Baneyx
Nature materials 2 (9), 577-585, 2003
19402003
'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
19121993
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
12981996
A" neural-gas" network learns topologies
T Martinetz, K Schulten
University of Illinois at Urbana-Champaign 1 (01), 1991
12361991
A model for photoreceptor-based magnetoreception in birds
T Ritz, S Adem, K Schulten
Biophysical journal 78 (2), 707-718, 2000
12312000
Neural computation and self-organizing maps: an introduction
H Ritter, T Martinetz, K Schulten
Addison-Wesley, 1992
12071992
Topology representing networks
T Martinetz, K Schulten
Neural Networks 7 (3), 507-522, 1994
11661994
Steered molecular dynamics and mechanical functions of proteins
B Isralewitz, M Gao, K Schulten
Current opinion in structural biology 11 (2), 224-230, 2001
11092001
Control of the selectivity of the aquaporin water channel family by global orientational tuning
E Tajkhorshid, P Nollert, M Jensen, LJW Miercke, J O'Connell, ...
Science 296 (5567), 525-530, 2002
10482002
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), 044130, 2020
10222020
Mechanical unfolding intermediates in titin modules
PE Marszalek, H Lu, H Li, M Carrion-Vazquez, AF Oberhauser, ...
Nature 402 (6757), 100-103, 1999
9311999
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
9032007
Calculating potentials of mean force from steered molecular dynamics simulations
S Park, K Schulten
The Journal of chemical physics 120 (13), 5946-5961, 2004
8992004
First passage time approach to diffusion controlled reactions
A Szabo, K Schulten, Z Schulten
The Journal of chemical physics 72 (8), 4350-4357, 1980
8921980
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
8881997
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
8732008
Free energy calculation from steered molecular dynamics simulations using Jarzynski’s equality
S Park, F Khalili-Araghi, E Tajkhorshid, K Schulten
The Journal of chemical physics 119 (6), 3559-3566, 2003
8382003
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