Klaus Schulten

Publication Activity (10 Years)

Years Active: 1986-2016
Publications (10 Years): 5

Top Topics

Computing Platform

Hepatitis C Virus

Molecular Dynamics

Top Venues

PLoS Comput. Biol.

IPDPS Workshops

J. Chem. Inf. Model.

EuroVis (Short Papers)

Publications

John E. Stone, Melih Sener, Kirby L. Vandivort, Angela Barragan, Abhishek Singharoy, Ivan Teo, João V. Ribeiro, Barry Isralewitz, Bo Liu, Boon Chong Goh, James C. Phillips, Craig MacGregor-Chatwin, Matthew P. Johnson, Lena F. Kourkoutis, C. Neil Hunter, Klaus Schulten
Atomic detail visualization of photosynthetic membranes with GPU-accelerated ray tracing. Parallel Comput. 55 (2016)
John E. Stone, Peter Messmer, Robert Sisneros, Klaus Schulten
High Performance Molecular Visualization: In-Situ and Parallel Rendering with EGL. IPDPS Workshops (2016)
John E. Stone, Antti-Pekka Hynninen, James C. Phillips, Klaus Schulten
Early Experiences Porting the NAMD and VMD Molecular Simulation and Analysis Software to GPU-Accelerated OpenPOWER Platforms. ISC Workshops (2016)
John E. Stone, Michael J. Hallock, James C. Phillips, Joseph R. Peterson, Zaida Luthey-Schulten, Klaus Schulten
Evaluation of Emerging Energy-Efficient Heterogeneous Computing Platforms for Biomolecular and Cellular Simulation Workloads. IPDPS Workshops (2016)
John E. Stone, William R. Sherman, Klaus Schulten
Immersive Molecular Visualization with Omnidirectional Stereoscopic Ray Tracing and Remote Rendering. IPDPS Workshops (2016)
Rong Shen, Wei Han, Giacomo Fiorin, Shahidul M. Islam, Klaus Schulten, Benoît Roux
Structural Refinement of Proteins by Restrained Molecular Dynamics Simulations with Non-interacting Molecular Fragments. PLoS Comput. Biol. 11 (10) (2015)
Yifei Qi, Xi Cheng, Wei Han, Sunhwan Jo, Klaus Schulten, Wonpil Im
CHARMM-GUI PACE CG Builder for Solution, Micelle, and Bilayer Coarse-Grained Simulations. J. Chem. Inf. Model. 54 (3) (2014)
Ramya Gamini, Wei Han, John E. Stone, Klaus Schulten
Assembly of Nsp1 Nucleoporins Provides Insight into Nuclear Pore Complex Gating. PLoS Comput. Biol. 10 (3) (2014)
James C. Phillips, John E. Stone, Kirby L. Vandivort, Timothy G. Armstrong, Justin M. Wozniak, Michael Wilde, Klaus Schulten
Petascale Tcl with NAMD, VMD, and Swift/T. HPTCDL@SC (2014)
Wei Jiang, James C. Phillips, Lei Huang, Mikolai Fajer, Yilin Meng, James C. Gumbart, Yun Luo, Klaus Schulten, Benoît Roux
Generalized scalable multiple copy algorithms for molecular dynamics simulations in NAMD. Comput. Phys. Commun. 185 (3) (2014)
John E. Stone, Kirby L. Vandivort, Klaus Schulten
GPU-accelerated molecular visualization on petascale supercomputing platforms. UltraVis@SC (2013)
Christopher G. Mayne, Jan Saam, Klaus Schulten, Emad Tajkhorshid, James C. Gumbart
Rapid parameterization of small molecules using the force field toolkit. J. Comput. Chem. 34 (32) (2013)
Gongpu Zhao, Juan R. Perilla, Ernest L. Yufenyuy, Xin Meng, Bo Chen, Jiying Ning, Jin-Woo Ahn, Angela M. Gronenborn, Klaus Schulten, Christopher Aiken, Peijun Zhang
Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics. Nat. 497 (7451) (2013)
Hang Yu, Klaus Schulten
Membrane Sculpting by F-BAR Domains Studied by Molecular Dynamics Simulations. PLoS Comput. Biol. 9 (1) (2013)
Ariela Vergara Jaque, Horacio Poblete, Eric H. Lee, Klaus Schulten, Fernando D. González Nilo, Christophe Chipot
Molecular Basis of Drug Resistance in A/H1N1 Virus. J. Chem. Inf. Model. 52 (10) (2012)
Michael Krone, John E. Stone, Thomas Ertl, Klaus Schulten
Fast Visualization of Gaussian Density Surfaces for Molecular Dynamics and Particle System Trajectories. EuroVis (Short Papers) (2012)
Danielle E. Chandler, François Penin, Klaus Schulten, Christophe Chipot
The p7 Protein of Hepatitis C Virus Forms Structurally Plastic, Minimalist Ion Channels. PLoS Comput. Biol. 8 (9) (2012)
Eduard Schreiner, Leonardo G. Trabuco, Peter L. Freddolino, Klaus Schulten
Stereochemical errors and their implications to molecular dynamics simulations. BMC Bioinform. 12 (2011)
John E. Stone, Kirby L. Vandivort, Klaus Schulten
Immersive Out-of-Core Visualization of Large-Size and Long-Timescale Molecular Dynamics Trajectories. ISVC (2) (2011)
Wei Chen, Jizhong Lou, Jen Hsin, Klaus Schulten, Stephen C. Harvey, Cheng Zhu
. PLoS Comput. Biol. 7 (2) (2011)
Ly Le, Eric H. Lee, David J. Hardy, Thanh N. Truong, Klaus Schulten
Molecular Dynamics Simulations Suggest that Electrostatic Funnel Directs Binding of Tamiflu to Influenza N1 Neuraminidases. PLoS Comput. Biol. 6 (9) (2010)
John E. Stone, Axel Kohlmeyer, Kirby L. Vandivort, Klaus Schulten
Immersive Molecular Visualization and Interactive Modeling with Commodity Hardware. ISVC (2) (2010)
John E. Stone, Jan Saam, David J. Hardy, Kirby L. Vandivort, Wen-mei W. Hwu, Klaus Schulten
High performance computation and interactive display of molecular orbitals on GPUs and multi-core CPUs. GPGPU (2009)
Thom H. Dunning, Klaus Schulten, Jeroen Tromp, Jeremiah P. Ostriker, Kelvin Droegemeier, Ming Xue, Paul Fussell
Science and Engineering in the Petascale Era. Comput. Sci. Eng. 11 (5) (2009)
David J. Hardy, John E. Stone, Klaus Schulten
Multilevel summation of electrostatic potentials using graphics processing units. Parallel Comput. 35 (3) (2009)
Christopher I. Rodrigues, David J. Hardy, John E. Stone, Klaus Schulten, Wen-mei W. Hwu
GPU acceleration of cutoff pair potentials for molecular modeling applications. Conf. Computing Frontiers (2008)
James C. Phillips, John E. Stone, Klaus Schulten
Adapting a message-driven parallel application to GPU-accelerated clusters. SC (2008)
John E. Stone, James C. Phillips, Peter L. Freddolino, David J. Hardy, Leonardo G. Trabuco, Klaus Schulten
Accelerating molecular modeling applications with graphics processors. J. Comput. Chem. 28 (16) (2007)
Jiunn Benjamin Heng, Aleksei Aksimentiev, Chuen Ho, Valentin Dimitrov, Thomas W. Sorsch, John F. Miner, William M. Mansfield, Klaus Schulten, Gregory Timp
Beyond the gene chip. Bell Labs Tech. J. 10 (3) (2005)
James C. Phillips, Rosemary Braun, Wei Wang, James C. Gumbart, Emad Tajkhorshid, Elizabeth Villa, Christophe Chipot, Robert D. Skeel, Laxmikant V. Kalé, Klaus Schulten
Scalable molecular dynamics with NAMD. J. Comput. Chem. 26 (16) (2005)
Elizabeth Villa, Alexander Balaeff, L. Mahadevan, Klaus Schulten
Multiscale Method for Simulating Protein-DNA Complexes. Multiscale Model. Simul. 2 (4) (2004)
John E. Stone, Justin Gullingsrud, Klaus Schulten
A system for interactive molecular dynamics simulation. SI3D (2001)
Rajeev Sharma, Michael Zeller, Vladimir Pavlovic, Thomas S. Huang, Zion Lo, Stephen M. Chu, Yunxin Zhao, James C. Phillips, Klaus Schulten
Speech/Gesture Interface to a Visual-Computing Environment. IEEE Computer Graphics and Applications 20 (2) (2000)
John Board, Klaus Schulten
The fast multipole algorithm. Comput. Sci. Eng. 2 (1) (2000)
Christian V. Forst, Klaus Schulten
Evolution of Metabolisms: A New Method for the Comparison of Metabolic Pathways Using Genomics Information. J. Comput. Biol. 6 (3/4) (1999)
Christian V. Forst, Klaus Schulten
Evolution of metabolisms: a new method for the comparison of metabolic pathways. RECOMB (1999)
Michael Zeller, Klaus Schulten, Rajeev Sharma
Learning the perceptual control manifold for sensor-based robot path planning. CIRA (1997)
Michael Zeller, James C. Phillips, Andrew Dalke, William Humphrey, Klaus Schulten, Thomas S. Huang, Vladimir Pavlovic, Yunxin Zhao, Zion Lo, Stephen M. Chu, Rajeev Sharma
A Visual Computing Environment for Very Large Scale Biomolecular Modeling. ASAP (1997)
Christian Kurrer, Klaus Schulten
Neuronal Oscillations and Stochastic Limit Cycles. Int. J. Neural Syst. 7 (4) (1996)
Rajeev Sharma, Thomas S. Huang, Vladimir I. Pavlovic, Yunxin Zhao, Zion Lo, Stephen M. Chu, Klaus Schulten
Speech/gesture interface to a visual computing environment for molecular biologists. ICPR (1996)
Patrick van der Smagt, Frans C. A. Groen, Klaus Schulten
Analysis and control of a rubbertuator arm. Biol. Cybern. 75 (5) (1996)
Klaus-Robert Müller, Michael Finke, Noboru Murata, Klaus Schulten, Shun-ichi Amari
A Numerical Study on Learning Curves in Stochastic Multilayer Feedforward Networks. Neural Comput. 8 (5) (1996)
Mark T. Nelson, William Humphrey, Attila Gürsoy, Andrew Dalke, Laxmikant V. Kalé, Robert D. Skeel, Klaus Schulten
NAMD: a Parallel, Object-Oriented Molecular Dynamics Program. Int. J. High Perform. Comput. Appl. 10 (4) (1996)
Xiche Hu, Dong Xu, Kenneth Hamer, Klaus Schulten, Juergen Koepke, Hartmut Michel
Knowledge based structure prediction of the light-harvesting complex II of Rhodospirillum molishianum. Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding (1995)
E. Erwin, Klaus Obermayer, Klaus Schulten
Models of orientation and ocular dominance columns in the visual cortex: a critical comparison. Neural Comput. 7 (3) (1995)
Thomas Martinetz, Klaus Schulten
Topology representing networks. Neural Networks 7 (3) (1994)
Ted Hesselroth, Kakali Sarkar, P. Patrick van der Smagt, Klaus Schulten
Neural Network Control of a Pneumatic Robot Arm. IEEE Trans. Syst. Man Cybern. Syst. 24 (1) (1994)
Svilen Tzonev, Klaus Schulten, Joseph G. Malpeli
Morphogenesis of the Lateral Geniculate Nucleus: How Singularities Affect Global Structure. NIPS (1994)
E. Erwin, Klaus Obermayer, Klaus Schulten
A Critical Comparison of Models for Orientation and Ocular Dominance Columns in the Striate Cortex. NIPS (1994)
Thomas Martinetz, Stanislav G. Berkovich, Klaus Schulten
'Neural-gas' network for vector quantization and its application to time-series prediction. IEEE Trans. Neural Networks 4 (4) (1993)
Thomas Martinetz, Klaus Schulten
A neural network with Hebbian-like adaptation rules learning visuomotor coordination of a PUMA robot. ICNN (1993)
Jörg A. Walter, Klaus Schulten
Implementation of self-organizing neural networks for visuo-motor control of an industrial robot. IEEE Trans. Neural Networks 4 (1) (1993)
E. Erwin, Klaus Obermayer, Klaus Schulten
Erratum. Biol. Cybern. 68 (3) (1993)
E. Erwin, Klaus Obermayer, Klaus Schulten
Self-organizing maps: stationary states, metastability and convergence rate. Biol. Cybern. 67 (1) (1992)
E. Erwin, Klaus Obermayer, Klaus Schulten
Self-organizing maps: ordering, convergence properties and energy functions. Biol. Cybern. 67 (1) (1992)
Klaus Obermayer, Klaus Schulten, Gary G. Blasdel
A Comparison between a Neural Network Model for the Formation of Brain Maps and Experimental Data. NIPS (1991)
Stan Berkovitch, Philippe Dalger, Ted Hesselroth, Thomas Martinetz, Benoît Noël, Jörg A. Walter, Klaus Schulten
Vector Quantization Algorithm for Time Series Prediction and Visuo-Motor Control of Robots. Wissensbasierte Systeme (1991)
Klaus Schulten
Computational Biology on Massively Parallel Machines. ACPC (1991)
Klaus Obermayer, Helge J. Ritter, Klaus Schulten
Development and Spatial Structure of Cortical Feature Maps: A Model Study. NIPS (1990)
Thomas Martinetz, Helge J. Ritter, Klaus Schulten
Three-dimensional neural net for learning visuomotor coordination of a robot arm. IEEE Trans. Neural Networks 1 (1) (1990)
Thomas Martinetz, Klaus Schulten
Hierarchical neural net for learning control of a robot's arm and gripper. IJCNN (1990)
Klaus Obermayer, Helge J. Ritter, Klaus Schulten
A neural network model for the formation of topographic maps in the CNS: development of receptive fields. IJCNN (1990)
Klaus Obermayer, Helge J. Ritter, Klaus Schulten
Large-scale simulations of self-organizing neural networks on parallel computers: application to biological modelling. Parallel Comput. 14 (3) (1990)
Jörg A. Walter, Helge J. Ritter, Klaus Schulten
Nonlinear prediction with self-organizing maps. IJCNN (1990)
Helge J. Ritter, Thomas Martinetz, Klaus Schulten
Topology-conserving maps for learning visuo-motor-coordination. Neural Networks 2 (3) (1989)
Helge J. Ritter, Klaus Schulten
Kohonen's self-organizing maps: exploring their computational capabilities. ICNN (1988)
Helge J. Ritter, Klaus Schulten
Topology-conserving maps for motor control. Neural Networks 1 (Supplement-1) (1988)
Joachim M. Buhmann, Klaus Schulten
Invariant pattern recognition by means of fast synaptic plasticity. ICNN (1988)
Helge J. Ritter, Klaus Schulten
Planning a Dynamic Trajectory via Path Finding in Discretized Phase Space. WOPPLOT (1986)