與「"author:Schulten K"」相符的使用者個人學術檔案

Klaus Schulten

Professor of Physics, University of Illinois at Urbana-Champaign
在 ks.uiuc.edu 的電子郵件地址已通過驗證
被引用 189531 次

Molecular biomimetics: nanotechnology through biology

M Sarikaya, C Tamerler, AKY Jen, K Schulten… - Nature materials, 2003 - nature.com
Proteins, through their unique and specific interactions with other macromolecules and
inorganics, control structures and functions of all biological hard and soft tissues in …

Steered molecular dynamics and mechanical functions of proteins

B Isralewitz, M Gao, K Schulten - Current opinion in structural biology, 2001 - Elsevier
Atomic force microscopy of single molecules, steered molecular dynamics and the theory of
stochastic processes have established a new field that investigates mechanical functions of …

Single-molecule experiments in vitro and in silico

M Sotomayor, K Schulten - Science, 2007 - science.org
Single-molecule force experiments in vitro enable the characterization of the mechanical
response of biological matter at the nanometer scale. However, they do not reveal the …

[HTML][HTML] Scalable molecular dynamics on CPU and GPU architectures with NAMD

JC Phillips, DJ Hardy, JDC Maia, JE Stone… - The Journal of …, 2020 - pubs.aip.org
NAMD is a molecular dynamics program designed for high-performance simulations of very
large biological objects on CPU-and GPU-based architectures. NAMD offers scalable …

NAMD2: greater scalability for parallel molecular dynamics

L Kalé, R Skeel, M Bhandarkar, R Brunner… - Journal of …, 1999 - Elsevier
Molecular dynamics programs simulate the behavior of biomolecular systems, leading to
understanding of their functions. However, the computational complexity of such simulations …

Scalable molecular dynamics with NAMD

JC Phillips, R Braun, W Wang… - Journal of …, 2005 - Wiley Online Library
NAMD is a parallel molecular dynamics code designed for high‐performance simulation of
large biomolecular systems. NAMD scales to hundreds of processors on high‐end parallel …

VMD: visual molecular dynamics

W Humphrey, A Dalke, K Schulten - Journal of molecular graphics, 1996 - Elsevier
VMD is a molecular graphics program designed for the display and analysis of molecular
assemblies, in particular biopolymers such as proteins and nucleic acids. VMD can …

'Neural-gas' network for vector quantization and its application to time-series prediction

TM Martinetz, SG Berkovich… - IEEE transactions on …, 1993 - ieeexplore.ieee.org
A neural network algorithm based on a soft-max adaptation rule is presented. This algorithm
exhibits good performance in reaching the optimum minimization of a cost function for vector …

Control of the selectivity of the aquaporin water channel family by global orientational tuning

E Tajkhorshid, P Nollert, MØ Jensen, LJW Miercke… - Science, 2002 - science.org
Aquaporins are transmembrane channels found in cell membranes of all life forms. We
examine their apparently paradoxical property, facilitation of efficient permeation of water …

Unfolding of titin immunoglobulin domains by steered molecular dynamics simulation

H Lu, B Isralewitz, A Krammer, V Vogel, K Schulten - Biophysical journal, 1998 - cell.com
Abstract Titin, a 1-μm-long protein found in striated muscle myofibrils, possesses unique
elastic and extensibility properties in its I-band region, which is largely composed of a PEVK …