Dinamica molecular

Klaus Schulten molecular Dynamics citations

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Professor of Physics, University of Illinois at Urbana-Champaign


VMD: visual molecular dynamicsW Humphrey, A Dalke, K SchultenJournal of molecular graphics 14 (1), 33-38280571996
Scalable molecular dynamics with NAMDJC Phillips, R Braun, W Wang, J Gumbart, E Tajkhorshid, E Villa, C Chipot, …Journal of computational chemistry 26 (16), 1781-1802117102005
NAMD2: greater scalability for parallel molecular dynamicsL Kalé, R Skeel, M Bhandarkar, R Brunner, A Gursoy, N Krawetz, …Journal of Computational Physics 151 (1), 283-31224511999
‘Neural-gas’ network for vector quantization and its application to time-series predictionTM Martinetz, SG Berkovich, KJ SchultenIEEE transactions on neural networks 4 (4), 558-56916561993
Molecular biomimetics: nanotechnology through biologyM Sarikaya, C Tamerler, AKY Jen, K Schulten, F BaneyxNature materials 2 (9), 57715922003
The crystal structure of the light-harvesting complex II (B800–850) from Rhodospirillum molischianumJ Koepke, X Hu, C Muenke, K Schulten, H MichelStructure 4 (5), 581-59711431996
Neural computation and self-organizing maps: an introductionH Ritter, T Martinetz, K Schulten, D Barsky, M Tesch, R KatesAddison-Wesley10691992
Topology representing networksT Martinetz, K SchultenNeural Networks 7 (3), 507-52210331994
A” neural-gas” network learns topologiesT Martinetz, K SchultenUniversity of Illinois at Urbana-Champaign 1 (01)9821991
Neural networks: an introductionB Müller, J Reinhardt, MT StricklandSpringer Science & Business Media9762012
Control of the selectivity of the aquaporin water channel family by global orientational tuningE Tajkhorshid, P Nollert, MØ Jensen, LJW Miercke, J O’connell, …Science 296 (5567), 525-5308792002
A model for photoreceptor-based magnetoreception in birdsT Ritz, S Adem, K SchultenBiophysical journal 78 (2), 707-7188682000
Steered molecular dynamics and mechanical functions of proteinsB Isralewitz, M Gao, K SchultenCurrent opinion in structural biology 11 (2), 224-2308352001
Mechanical unfolding intermediates in titin modulesPE Marszalek, H Lu, H Li, M Carrion-Vazquez, AF Oberhauser, …Nature 402 (6757), 1008251999
Accelerating molecular modeling applications with graphics processorsJE Stone, JC Phillips, PL Freddolino, DJ Hardy, LG Trabuco, K SchultenJournal of computational chemistry 28 (16), 2618-26407562007
Molecular dynamics study of unbinding of the avidin-biotin complexS Izrailev, S Stepaniants, M Balsera, Y Oono, K SchultenBiophysical journal 72 (4), 1568-15817241997
First passage time approach to diffusion controlled reactionsA Szabo, K Schulten, Z SchultenThe Journal of chemical physics 72 (8), 4350-43577181980
Unfolding of titin immunoglobulin domains by steered molecular dynamics simulationH Lu, B Isralewitz, A Krammer, V Vogel, K SchultenBiophysical journal 75 (2), 662-6716901998
Calculating potentials of mean force from steered molecular dynamics simulationsS Park, K SchultenThe Journal of chemical physics 120 (13), 5946-59616382004
Free energy calculation from steered molecular dynamics simulations using Jarzynski’s equalityS Park, F Khalili-Araghi, E Tajkhorshid, K SchultenThe Journal of chemical physics 119 (6), 3559-35666162003

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