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1
Metastable liquid-liquid transition in a molecular model of water
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Artículo
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Metastable liquid-liquid transition in a molecular model of water

Palmer, Jeremy C ; Martelli, Fausto ; Liu, Yang ; Car, Roberto ; Panagiotopoulos, Athanassios Z ; Debenedetti, Pablo G

Nature (London), 2014-06, Vol.510 (7505), p.385-388 [Revista revisada por pares]

England: Nature Publishing Group

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2
Development and simulation of fully glycosylated molecular models of ACE2-Fc fusion proteins and their interaction with the SARS-CoV-2 spike protein binding domain
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Artículo
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Development and simulation of fully glycosylated molecular models of ACE2-Fc fusion proteins and their interaction with the SARS-CoV-2 spike protein binding domain

Bernardi, Austen ; Huang, Yihan ; Harris, Bradley ; Xiong, Yongao ; Nandi, Somen ; McDonald, Karen A ; Faller, Roland Millet, Oscar

PloS one, 2020-08, Vol.15 (8), p.e0237295-e0237295 [Revista revisada por pares]

United States: Public Library of Science

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3
Diffusion, crowding & protein stability in a dynamic molecular model of the bacterial cytoplasm
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Diffusion, crowding & protein stability in a dynamic molecular model of the bacterial cytoplasm

McGuffee, Sean R ; Elcock, Adrian H Briggs, James M.

PLoS computational biology, 2010-03, Vol.6 (3), p.e1000694-e1000694 [Revista revisada por pares]

United States: Public Library of Science

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4
Disordered binding regions and linear motifs--bridging the gap between two models of molecular recognition
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Disordered binding regions and linear motifs--bridging the gap between two models of molecular recognition

Mészáros, Bálint ; Dosztányi, Zsuzsanna ; Simon, István Kim, Philip M.

PloS one, 2012-10, Vol.7 (10), p.e46829-e46829 [Revista revisada por pares]

United States: Public Library of Science

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5
Molecular model linking Th2 polarized M2 tumour‐associated macrophages with deaminase‐mediated cancer progression mutation signatures
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Molecular model linking Th2 polarized M2 tumour‐associated macrophages with deaminase‐mediated cancer progression mutation signatures

Mamrot, Jared ; Balachandran, Siddharth ; Steele, Edward J. ; Lindley, Robyn A.

Scandinavian journal of immunology, 2019-05, Vol.89 (5), p.e12760-n/a [Revista revisada por pares]

England: Wiley Subscription Services, Inc

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6
Improvement of molecular-replacement models with Sculptor
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Improvement of molecular-replacement models with Sculptor

Bunkóczi, Gábor ; Read, Randy J.

Acta crystallographica. Section D, Biological crystallography., 2011-04, Vol.67 (4), p.303-312 [Revista revisada por pares]

5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of Crystallography

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7
From molecular models to continuum mechanics
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From molecular models to continuum mechanics

BLANC, X ; LE BRIS, C ; LIONS, P.-L

Archive for rational mechanics and analysis, 2002-10, Vol.164 (4), p.341-381 [Revista revisada por pares]

Heidelberg: Springer

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8
MmCMS: mouse models' consensus molecular subtypes of colorectal cancer
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MmCMS: mouse models' consensus molecular subtypes of colorectal cancer

Amirkhah, Raheleh ; Gilroy, Kathryn ; Malla, Sudhir B ; Lannagan, Tamsin R M ; Byrne, Ryan M ; Fisher, Natalie C ; Corry, Shania M ; Mohamed, Noha-Ehssan ; Naderi-Meshkin, Hojjat ; Mills, Megan L ; Campbell, Andrew D ; Ridgway, Rachel A ; Ahmaderaghi, Baharak ; Murray, Richard ; Llergo, Antoni Berenguer ; Sanz-Pamplona, Rebeca ; Villanueva, Alberto ; Batlle, Eduard ; Salazar, Ramon ; Lawler, Mark ; Sansom, Owen J ; Dunne, Philip D

British journal of cancer, 2023-03, Vol.128 (7), p.1333-1343 [Revista revisada por pares]

England: Nature Publishing Group

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9
Molecular Modeling on Berberine Derivatives toward BuChE: An Integrated Study with Quantitative Structure-Activity Relationships Models, Molecular Docking, and Molecular Dynamics Simulations
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Molecular Modeling on Berberine Derivatives toward BuChE: An Integrated Study with Quantitative Structure-Activity Relationships Models, Molecular Docking, and Molecular Dynamics Simulations

Fang, Jiansong ; Pang, Xiaocong ; Wu, Ping ; Yan, Rong ; Gao, Li ; Li, Chao ; Lian, Wenwen ; Wang, Qi ; Liu, Ai-lin ; Du, Guan-hua

Chemical biology & drug design, 2016-05, Vol.87 (5), p.649-663 [Revista revisada por pares]

England: Blackwell Publishing Ltd

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10
Disruption of KIF17-Mint1 interaction by CaMKII-dependent phosphorylation: a molecular model of kinesin-cargo release
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Disruption of KIF17-Mint1 interaction by CaMKII-dependent phosphorylation: a molecular model of kinesin-cargo release

Wong, Richard ; Hirokawa, Nobutaka ; Guillaud, Laurent

Nature cell biology, 2008-01, Vol.10 (1), p.19-29 [Revista revisada por pares]

England: Nature Publishing Group

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