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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
476281996
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
172142005
NAMD2: greater scalability for parallel molecular dynamics
L KalÚ, R Skeel, M Bhandarkar, R Brunner, A Gursoy, N Krawetz, ...
Journal of Computational Physics 151 (1), 283-312, 1999
28531999
Molecular biomimetics: nanotechnology through biology
M Sarikaya, C Tamerler, AKY Jen, K Schulten, F Baneyx
Nature materials 2 (9), 577-585, 2003
19262003
'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
19001993
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
12871996
A" neural-gas" network learns topologies
T Martinetz, K Schulten
University of Illinois at Urbana-Champaign 1 (01), 1991
12441991
A model for photoreceptor-based magnetoreception in birds
T Ritz, S Adem, K Schulten
Biophysical journal 78 (2), 707-718, 2000
12022000
Neural computation and self-organizing maps: an introduction
H Ritter, T Martinetz, K Schulten
Addison-Wesley, 1992
11871992
Topology representing networks
T Martinetz, K Schulten
Neural Networks 7 (3), 507-522, 1994
11601994
Steered molecular dynamics and mechanical functions of proteins
B Isralewitz, M Gao, K Schulten
Current opinion in structural biology 11 (2), 224-230, 2001
10932001
Control of the selectivity of the aquaporin water channel family by global orientational tuning
E Tajkhorshid, P Nollert, Mě Jensen, LJW Miercke, J O'Connell, ...
Science 296 (5567), 525-530, 2002
10462002
Mechanical unfolding intermediates in titin modules
PE Marszalek, H Lu, H Li, M Carrion-Vazquez, AF Oberhauser, ...
Nature 402 (6757), 100-103, 1999
9301999
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
9192020
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
9052007
First passage time approach to diffusion controlled reactions
A Szabo, K Schulten, Z Schulten
The Journal of chemical physics 72 (8), 4350-4357, 1980
8831980
Calculating potentials of mean force from steered molecular dynamics simulations
S Park, K Schulten
The Journal of chemical physics 120 (13), 5946-5961, 2004
8822004
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
8811997
Flexible fitting of atomic structures into electron microscopy maps using molecular dynamics
LG Trabuco, E Villa, K Mitra, J Frank, K Schulten
Single-Particle Cryo-Electron Microscopy: The Path Toward Atomic Resolutioná…, 2008
8712008
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
8292003
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Articles 1–20