Katalog Czasopism

• Recent improvements in prediction of protein structure by global optimization of a potential energy function

  Publikacja

  • J. Pillardy
  • C. Czaplewski
  • A. Liwo
  • J. Lee
  • D. Ripoll
  • R. Kazmierkiewicz
  • S. Oldziej
  • W. Wedemeyer
  • K. Gibson
  • Y. Arnautova... i 4 innych

  - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - Rok 2001

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• Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: Assessment in two blind tests

  Publikacja

  • S. Oldziej
  • C. Czaplewski
  • A. Liwo
  • M. Chinchio
  • M. Nanias
  • J. Vila
  • M. Khalili
  • Y. Arnautova
  • A. Jagielska
  • M. Makowski... i 9 innych

  - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - Rok 2005

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• Effect of electron count and chemical complexity in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor

  Publikacja

  • F. v. Rohr
  • M. J. Winiarski
  • J. Tao
  • T. Klimczuk
  • R. J. Cava

  - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - Rok 2016

  High-entropy alloys are made from random mixtures of principal elements on simple lattices, stabilized by a high mixing entropy. The recently discovered body-centered cubic (BCC) Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor appears to display properties of both simple crystalline intermetallics and amorphous materials; e.g., it has a well-defined superconducting transition along with an exceptional robustness against disorder....

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• A method for optimizing potential-energy functions by a hierarchical design of the potential-energy landscape: Application to the UNRES force field

  Publikacja

  • A. Liwo
  • P. Arlukowicz
  • C. Czaplewski
  • S. Oldziej
  • J. Pillardy
  • H. Scheraga
  • C. Czaplewski

  - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - Rok 2002

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• Crystal structures of the DsbG disulfide isomerase reveal an unstable disulfide

  Publikacja

  • B. Heras
  • M. A. Edeling
  • H. J. Schirra
  • S. Raina
  • J. L. Martin

  - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - Rok 2004

  Dsb proteins control the formation and rearrangement of disulfide bonds during the folding of secreted and membrane proteins in bacteria. DsbG, a member of this family, has disulfide bond isomerase and chaperone activity. Here, we present two crystal structures of DsbG at 1.7- and 2.0-Angstrom resolution that are meant to represent the reduced and oxidized forms, respectively. The oxidized structure, however, reveals a mixture...

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• mRNA adenosine methylase (MTA) deposits m 6 A on pri-miRNAs to modulate miRNA biogenesis in Arabidopsis thaliana

  Publikacja

  • S. Bhat
  • D. Bielewicz
  • T. Gulanicz
  • Z. Bodi
  • X. Yu
  • S. Anderson
  • L. Szewc
  • M. Bajczyk
  • J. Dolata
  • N. Grzelak... i 5 innych

  - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - Rok 2020

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• Lessons from application of the UNRES force field to predictions of structures of CASP10 targets

  Publikacja

  • Y. He
  • M. Mozolewska
  • P. Krupa
  • A. Sieradzan
  • T. Wirecki
  • A. Liwo
  • K. Kachlishvili
  • S. Rackovsky
  • D. Jagiela
  • R. Slusarz... i 5 innych

  - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - Rok 2013

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• The supramolecular organization of self-assembling chlorosomal bacteriochlorophyll c, d, or e mimics

  Publikacja

  • T. Jochum
  • C. M. Reddy
  • A. Eichhofer
  • G. Buth
  • J. Szmytkowski
  • H. Kalt
  • D. Moss
  • T. S. Balaban

  - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - Rok 2008

  Bacteriochlorophylls (BChls) c, d, and e are the main light-harvesting pigments of green photosynthetic bacteria that self-assemble into nanostructures within the chlorosomes forming the most efficient antennas of photosynthetic organisms. All previous models of the chlorosomal antennae, which are quite controversially discussed because no single crystals could be grown so far from these organelles, involve a strong hydrogen-bonding...

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• Conformation-family Monte Carlo: A new method for crystal structure prediction

  Publikacja

  • J. Pillardy
  • Y. Arnautova
  • C. Czaplewski
  • K. Gibson
  • H. Scheraga
  • C. Czaplewski

  - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - Rok 2001

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• Endohedral gallide cluster superconductors and superconductivity in ReGa5

  Publikacja

  • W. Xie
  • H. Luo
  • B. Phelan
  • T. Klimczuk
  • F. Cevallos
  • R. J. Cava

  - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - Rok 2015

  We present transition metal-embedded (T@Gan) endohedral Ga clusters as a favorable structural motif for superconductivity and develop empirical, molecule-based, electron counting rules that govern the hierarchical architectures that the clusters assume in binary phases. Among the binary T@Gan endohedral cluster systems, Mo8Ga41, Mo6Ga31, Rh2Ga9, and Ir2 Ga9 are all previously known superconductors. The well-known exotic superconductor...

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• Torsional elasticity and energetics of F1-ATPase

  Publikacja

  • J. Czub
  • H. Grubmueller

  - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - Rok 2011

  FoF1-ATPase is a rotary motor protein synthesizing ATP from ADP driven by a cross-membrane proton gradient. The proton flow through the membrane-embedded Fo generates the rotary torque that drives the rotation of the asymmetric shaft of F1. Mechanical energy of the rotating shaft is used by the F1 catalytic subunit to synthesize ATP. It was suggested that elastic power transmission with transient storage of energy in some compliant...

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• Quantum communication complexity advantage implies violation of a Bell inequality

  Publikacja

  • H. Buhrman
  • Ł. Czekaj
  • A. Grudka
  • M. Horodecki
  • P. Horodecki
  • M. Markiewicz
  • F. Speelman
  • S. Strelchuk

  - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - Rok 2016

  We obtain a general connection between a quantum advantage in communication complexity and non-locality. We show that given any protocol offering a (sufficiently large) quantum advantage in communication complexity, there exists a way of obtaining measurement statistics which violate some Bell inequality. Our main tool is port-based teleportation. If the gap between quantum and classical communication complexity can grow arbitrarily...

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• Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements

  Publikacja

  • R. Zhou
  • G. Maisuradze
  • D. Suñol
  • T. Todorovski
  • M. Macias
  • Y. Xiao
  • H. Scheraga
  • C. Czaplewski
  • A. Liwo

  - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - Rok 2014

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• Large Hall and Nernst responses from thermally induced spin chirality in a spin-trimer ferromagnet

  Publikacja

  • K. Kolincio
  • M. Hirschberger
  • J. Masell
  • S. Gao
  • A. Kikkawa
  • Y. Taguchi
  • T. Arima
  • N. Nagaosa
  • Y. Tokura

  - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - Rok 2021

  The long-range order of noncoplanar magnetic textures with scalar spin chirality (SSC) can couple to conduction electrons to produce an additional (termed geometrical or topological) Hall effect. One such example is the Hall effect in the skyrmion lattice state with quantized SSC. An alternative route to attain a finite SSC is via the spin canting caused by thermal fluctuations in the vicinity of the ferromagnetic ordering transition....

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• How acidic amino acid residues facilitate DNA target site selection

  Publikacja

  • K. A. Hossain (dawniej: K. Hossain)
  • M. Kogut
  • J. Słabońska
  • S. Sappati
  • M. Wieczór
  • J. Czub

  - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - Rok 2023

  Despite the negative charge of the DNA backbone, acidic residues (Asp/Glu) commonly participate in the base readout, with a strong preference for cytosine. In fact, in the solved DNA/protein structures, cytosine is recognized almost exclusively by Asp/Glu through a direct hydrogen bond, while at the same time, adenine, regardless of its amino group, shows no propensity for Asp/Glu. Here, we analyzed the contribution of Asp/Glu...

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• Molecular mechanism and energetics of coupling between substrate binding and product release in the F 1 -ATPase catalytic cycle

  Publikacja

  • M. Badocha
  • M. Wieczór
  • A. Marciniak
  • C. Kleist
  • H. Grubmüller
  • J. Czub

  - PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - Rok 2023

  F1-ATPase is a motor protein that couples the rotation of its rotary γ subunit with ATP synthesis or hydrolysis. Single-molecule experiments indicate that nucleotide binding and release events occur almost simultaneously during the synthesis cycle, allowing the energy gain due to spontaneous binding of ADP to one catalytic β subunit to be directly harnessed for driving the release of ATP from another rather than being dissipated...

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