Paul Tavan

发表

Asymptotic level density in topological feature maps

Dominik R. Dersch, Paul Tavan, P. Tavan, 1995, IEEE Trans. Neural Networks.

Associative Memories that can form Hypotheses: Phase coded Network Architectures

Paul Tavan, Niels Kunstmann, Claus Hillermeier, 1993 .

Conformational Dynamics Simulations of Proteins

Paul Tavan, Helmut Grubmüller, Markus Eichinger, 1999, Computational Molecular Dynamics.

Generalized radial basis function networks for classification and novelty detection: self-organization of optimal Bayesian decision

Florian Metze, Paul Tavan, Jan Busch, 2000, Neural Networks.

Population Dynamics on the Basis of Vector Quantization: A Method for Auto-Association and Classification

Paul Tavan, Niels Kunstmann, Claus Hillermeier, 1993 .

An associative memory that can form hypotheses: a phase-coded neural network

Paul Tavan, Niels Kunstmann, Claus Hillermeier, 2004, Biological Cybernetics.

Multiple time step algorithms for molecular dynamics simulations of proteins: How good are they?

Helmut Grubmüller, Paul Tavan, P. Tavan, 1998, J. Comput. Chem..

Extracting Markov Models of Peptide Conformational Dynamics from Simulation Data.

Paul Tavan, Verena Schultheis, Thomas Hirschberger, 2005, Journal of chemical theory and computation.

Topological feature maps with self-organized lateral connections: a population-coded, one-layer model of associative memory

Paul Tavan, Niels Kunstmann, Claus Hillermeier, 1994, Biological Cybernetics.

Simulated Solute Tempering.

Paul Tavan, Gerald Mathias, Martin Lingenheil, 2009, Journal of chemical theory and computation.

Multiple time step algorithms for molecular dynamics simulations of proteins: How good are they?

Helmut Grubmüller, Paul Tavan, 1998 .

Continuum description of ionic and dielectric shielding for molecular-dynamics simulations of proteins in solution.

Paul Tavan, Bernhard Egwolf, 2004, The Journal of chemical physics.

Ultrafast spectroscopy reveals subnanosecond peptide conformational dynamics and validates molecular dynamics simulation

Paul Tavan, Luis Moroder, Wolfgang Zinth, 2002, Proceedings of the National Academy of Sciences of the United States of America.

A fast multipole method combined with a reaction field for long-range electrostatics in molecular dynamics simulations: The effects of truncation on the properties of water

Paul Tavan, Bernhard Egwolf, Gerald Mathias, 2003 .

FAMUSAMM: An algorithm for rapid evaluation of electrostatic interactions in molecular dynamics simulations.

Helmut Grubmüller, Paul Tavan, H. Heller, 1997 .

Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulations.

Paul Tavan, Gerald Mathias, Magnus Schwörer, 2015, The Journal of chemical physics.

Control of annealing in minimal free energy vector quantization

Paul Tavan, D. R. Dersch, 1994, Proceedings of 1994 IEEE International Conference on Neural Networks (ICNN'94).

Optimal temperature ladders in replica exchange simulations

Paul Tavan, Martin Lingenheil, P. Tavan, 2009 .

Electrostatics of proteins in dielectric solvent continua. I. An accurate and efficient reaction field description.

Paul Tavan, Sebastian Bauer, Gerald Mathias, 2014, The Journal of chemical physics.

IR Spectra of Phosphate Ions in Aqueous Solution: Predictions of a DFT/MM Approach Compared with Observations

Paul Tavan, Klaus Gerwert, Gerald Mathias, 2004 .

Fast Version of the Structure Adapted Multipole Method–Efficient Calculation of Electrostatic Forces in Protein Dynamics

Christoph Niedermeier, Paul Tavan, 1996 .

Optimizing the Accuracy and Efficiency of Fast Hierarchical Multipole Expansions for MD Simulations.

Paul Tavan, Philipp Tröster, Magnus Schwörer, 2012, Journal of chemical theory and computation.

The polarizability of point-polarizable water models: density functional theory/molecular mechanics results.

Paul Tavan, Bernhard Schropp, P. Tavan, 2008, The journal of physical chemistry. B.

Electrostatics of proteins in dielectric solvent continua. II. Hamiltonian reaction field dynamics.

Paul Tavan, Sebastian Bauer, Gerald Mathias, 2014, The Journal of chemical physics.

Exploring Hamiltonian dielectric solvent molecular dynamics

Paul Tavan, Gerald Mathias, P. Tavan, 2014 .

A hybrid method for solutes in complex solvents: Density functional theory combined with empirical force fields

Paul Tavan, Michele Parrinello, Jürg Hutter, 1999 .

Efficiency reduction and pseudo-convergence in replica exchange sampling of peptide folding–unfolding equilibria

Paul Tavan, Martin Lingenheil, P. Tavan, 2008 .

The low‐lying electronic excitations in long polyenes: A PPP‐MRD‐CI study

Klaus Schulten, Paul Tavan, P. Tavan, 1986 .

Molecular dynamics simulations indicate a possible role of parallel beta-helices in seeded aggregation of poly-Gln.

Paul Tavan, Armin Giese, P. Tavan, 2005, Biophysical journal.