Search Results - "Nadler, Walter"
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Molecular Transport through Channels and Pores: Effects of in-Channel Interactions and Blocking
Published in Proceedings of the National Academy of Sciences - PNAS (01-08-2006)“…Facilitated translocation of molecules through channels and pores is of fundamental importance for transmembrane transport in biological systems. Several such…”
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Ancestral amphibian v2rs are expressed in the main olfactory epithelium
Published in Proceedings of the National Academy of Sciences - PNAS (07-05-2013)“…Mammalian olfactory receptor families are segregated into different olfactory organs, with type 2 vomeronasal receptor (v2r) genes expressed in a basal layer…”
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Heat conduction and entropy production in a one-dimensional hard-particle gas
Published in Physical review letters (28-10-2002)“…We present large scale simulations for a one-dimensional chain of hard-point particles with alternating masses and correct several claims in recent literature…”
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Optimized Explicit-Solvent Replica Exchange Molecular Dynamics from Scratch
Published in The journal of physical chemistry. B (28-08-2008)“…Replica exchange molecular dynamics (REMD) simulations have become an important tool to study proteins and other biological molecules in silico. However, such…”
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Thermodynamics of competitive molecular channel transport: application to artificial nuclear pores
Published in PloS one (13-12-2010)“…In an analytical model channel transport is analyzed as a function of key parameters, determining efficiency and selectivity of particle transport in a…”
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Optimizing replica exchange moves for molecular dynamics
Published in Physical review. E, Statistical, nonlinear, and soft matter physics (01-11-2007)“…We sketch the statistical physics framework of the replica exchange technique when applied to molecular dynamics simulations. In particular, we draw attention…”
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Nested Expression Domains for Odorant Receptors in Zebrafish Olfactory Epithelium
Published in Proceedings of the National Academy of Sciences - PNAS (12-11-1996)“…The mapping of high-dimensional olfactory stimuli onto the two-dimensional surface of the nasal sensory epithelium constitutes the first step in the neuronal…”
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Testing a new Monte Carlo algorithm for protein folding
Published in Proteins, structure, function, and bioinformatics (01-07-1998)“…We demonstrate that the recently proposed pruned‐enriched Rosenbluth method (PERM) (Grassberger, Phys. Rev. E 56:3682, 1997) leads to extremely efficient…”
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Dynamics and optimal number of replicas in parallel tempering simulations
Published in Physical review. E, Statistical, nonlinear, and soft matter physics (01-12-2007)“…We study the dynamics of parallel tempering simulations, also known as the replica exchange technique, which has become the method of choice for simulation of…”
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Generalized ensemble and tempering simulations: A unified view
Published in Physical review. E, Statistical, nonlinear, and soft matter physics (27-02-2007)Get full text
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Microcanonical replica exchange molecular dynamics simulation of proteins
Published in Physical review. E, Statistical, nonlinear, and soft matter physics (01-11-2009)“…We present microcanonical replica exchange molecular dynamics simulations as an alternative to canonical ones. Its advantage is the easily tunable high…”
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Zebrafish crypt neurons project to a single, identified mediodorsal glomerulus
Published in Scientific reports (24-06-2013)“…Crypt neurons are a third type of olfactory receptor neurons with a highly unusual “one cell type - one receptor” mode of expression, the same receptor being…”
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Scaling of Star Polymers with 1−80 Arms
Published in Macromolecules (15-06-2004)“…We present large statistics simulations of 3-dimensional star polymers with up to f = 80 arms and with up to 4000 monomers per arm for small values of f. They…”
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Ancestral amphibian v2r s are expressed in the main olfactory epithelium
Published in Proceedings of the National Academy of Sciences - PNAS (07-05-2013)“…Mammalian olfactory receptor families are segregated into different olfactory organs, with type 2 vomeronasal receptor ( v2r ) genes expressed in a basal layer…”
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16
Dynamics and efficiency of Brownian rotors
Published in The Journal of chemical physics (14-12-2008)“…Brownian rotors play an important role in biological systems and in future nanotechnological applications. However the mechanisms determining their dynamics,…”
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Backbone and side-chain ordering in a small protein
Published in The Journal of chemical physics (14-01-2008)“…We investigate the relation between backbone and side-chain ordering in a small protein. For this purpose, we have performed multicanonical simulations of the…”
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On the helix-coil transition in alanine based polypeptides in gas phase
Published in The Journal of chemical physics (28-05-2007)“…Using multicanonical simulations, the authors study the effect of charged end groups on helix formation in alanine based polypeptides. They confirm earlier…”
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Network analysis of the state space of discrete dynamical systems
Published in Physical review letters (11-05-2007)“…We study networks representing the dynamics of elementary 1D cellular automata (CA) on finite lattices. We analyze scaling behaviors of both local and global…”
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Side-chain and backbone ordering in a polypeptide
Published in The Journal of chemical physics (28-10-2006)“…We report results from multicanonical simulations of polyglutamic acid chains of length of ten residues. For this simple polypeptide we observe a decoupling of…”
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