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Molecular dynamics insights into protein‐glycosaminoglycan systems from microsecond‐scale simulations
Molecular dynamics insights into protein‐glycosaminoglycan systems from microsecond‐scale simulations
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Molecular dynamics insights into protein‐glycosaminoglycan systems from microsecond‐scale simulations

Bojarski, Krzysztof K. ; Sieradzan, Adam K. ; Samsonov, Sergey A.

Biopolymers, 2019-07, Vol.110 (7), p.e23252-n/a [Periódico revisado por pares]

United States: Wiley Subscription Services, Inc

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2
Wefold a coopetition for protein structure prediction
Wefold a coopetition for protein structure prediction
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Wefold a coopetition for protein structure prediction

George A Khoury Adam Liwo; Firas Khatib; Hongyi Zhou; Gaurav Chopra; Jaume Bacardit; Leandro O Bortot (Leandro Oliveira Bortot); Rodrigo A Faccioli (Faccioli, Rodrigo Antonio); Xin Deng; Yi He; Pawel Krupa; Jilong Li; Magdalena A Mozolewska; Adam K Sieradzan; James Smadbeck; Tomasz Wirecki; Seth Cooper; Jeff Flatten; Kefan Xu; David Baker; Jianlin Cheng; Alexandre Cláudio Botazzo Delbem; Christodoulos A Floudas; Chen Keasar; Michael Levitt; Zoran Popovic; Harold A Scheraga; Silvia N Crivelli

Proteins Hoboken : Wiley-Liss v. 82, n. 9, p. 1850-1868, set 2014

Hoboken, NJ, EUA 2014

Localização: ICMC - Inst. Ciên. Mat. Computação    (PROD 2659716 )(Acessar)

3
An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12
An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12
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An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12

George A Khoury Adam Liwo; Firas Khatib; Hongyi Zhou; Gaurav Chopra; Jaume Bacardit; Leandro O Bortot (Leandro Oliveira Bortot); Rodrigo A Faccioli (Faccioli, Rodrigo Antonio); Xin Deng; Yi He; Pawel Krupa; Jilong Li; Magdalena A Mozolewska; Adam K Sieradzan; James Smadbeck; Tomasz Wirecki; Seth Cooper; Jeff Flatten; Kefan Xu; David Baker; Jianlin Cheng; Alexandre Cláudio Botazzo Delbem; Christodoulos A Floudas; Chen Keasar; Michael Levitt; Zoran Popovic; Harold A Scheraga; Silvia N Crivelli

Scientific Reports Hoboken : Springer Nature Publishing AG v. 8, n. 9939, p. 1850-1868, 2018

Basel 2018

Localização: ICMC - Inst. Ciên. Mat. Computação    (PROD-2929990 )(Acessar)

4
Multilayered Computational Framework for Designing Peptide Inhibitors of HVEM-LIGHT Interaction
Multilayered Computational Framework for Designing Peptide Inhibitors of HVEM-LIGHT Interaction
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Multilayered Computational Framework for Designing Peptide Inhibitors of HVEM-LIGHT Interaction

Ciura, Piotr ; Smardz, Pamela ; Spodzieja, Marta ; Sieradzan, Adam K. ; Krupa, Pawel

The journal of physical chemistry. B, 2024-07, Vol.128 (28), p.6770-6785 [Periódico revisado por pares]

American Chemical Society

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5
Extension of the SUGRES-1P Coarse-Grained Model of Polysaccharides to Heparin
Extension of the SUGRES-1P Coarse-Grained Model of Polysaccharides to Heparin
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Extension of the SUGRES-1P Coarse-Grained Model of Polysaccharides to Heparin

Danielsson, Annemarie ; Samsonov, Sergey A. ; Liwo, Adam ; Sieradzan, Adam K.

Journal of chemical theory and computation, 2023-09, Vol.19 (17), p.6023-6036 [Periódico revisado por pares]

Washington: American Chemical Society

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6
A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III. Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-field calibration and validation
A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III. Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-field calibration and validation
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A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III. Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-field calibration and validation

Liwo, Adam ; Sieradzan, Adam K. ; Lipska, Agnieszka G. ; Czaplewski, Cezary ; Joung, InSuk ; Żmudzińska, Wioletta ; Hałabis, Anna ; Ołdziej, Stanisław

The Journal of chemical physics, 2019-04, Vol.150 (15), p.155104-155104 [Periódico revisado por pares]

United States: American Institute of Physics

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7
UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics
UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics
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UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics

Czaplewski, Cezary ; Karczyńska, Agnieszka ; Sieradzan, Adam K ; Liwo, Adam

Nucleic acids research, 2018-07, Vol.46 (W1), p.W304-W309 [Periódico revisado por pares]

England: Oxford University Press

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8
Introduction of periodic boundary conditions into UNRES force field
Introduction of periodic boundary conditions into UNRES force field
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Introduction of periodic boundary conditions into UNRES force field

Sieradzan, Adam K.

Journal of computational chemistry, 2015-05, Vol.36 (12), p.940-946 [Periódico revisado por pares]

United States: Blackwell Publishing Ltd

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9
NARall: a novel tool for reconstruction of the all-atom structure of nucleic acids from heavily coarse-grained model
NARall: a novel tool for reconstruction of the all-atom structure of nucleic acids from heavily coarse-grained model
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NARall: a novel tool for reconstruction of the all-atom structure of nucleic acids from heavily coarse-grained model

Golon, Łukasz ; Sieradzan, Adam K.

Chemical papers, 2023-05, Vol.77 (5), p.2437-2445 [Periódico revisado por pares]

Warsaw: Versita

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10
Peptide-based inhibitors targeting the PD-1/PD-L1 axis: potential immunotherapeutics for cancer
Peptide-based inhibitors targeting the PD-1/PD-L1 axis: potential immunotherapeutics for cancer
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Peptide-based inhibitors targeting the PD-1/PD-L1 axis: potential immunotherapeutics for cancer

Bojko, Magdalena ; Węgrzyn, Katarzyna ; Sikorska, Emilia ; Ciura, Piotr ; Battin, Claire ; Steinberger, Peter ; Magiera-Mularz, Katarzyna ; Dubin, Grzegorz ; Kulesza, Adam ; Sieradzan, Adam K. ; Spodzieja, Marta ; Rodziewicz-Motowidło, Sylwia

Translational oncology, 2024-04, Vol.42, p.101892-101892, Article 101892 [Periódico revisado por pares]

United States: Elsevier Inc

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Deste Autor:

  1. Wirecki, T
  2. Bortot, L
  3. Cooper, S
  4. Smadbeck, J
  5. Li, J

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  5. Chemistry

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