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Dynamic chromatin association of IκBα is regulated by acetylation and cleavage of histone H4

EMBO reports, 2021-08, Vol.22 (8), p.e52649-n/a

2021

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New Model of Cystic Fibrosis Transmembrane Conductance Regulator Proposes Active Channel-like Conformation

Journal of chemical information and modeling, 2012-07, Vol.52 (7), p.1842-1853

2012

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SBMOpenMM: A Builder of Structure-Based Models for OpenMM

Journal of chemical information and modeling, 2021-07, Vol.61 (7), p.3166-3171

2021

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Computational exploration of the binding mode of heme-dependent stimulators into the active catalytic domain of soluble guanylate cyclase

Proteins, structure, function, and bioinformatics, 2016-10, Vol.84 (10), p.1534-1548

2016

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TRIFORCE: Tessellated Semianalytical Solvent Exposed Surface Areas and Derivatives

Journal of chemical theory and computation, 2014-09, Vol.10 (9), p.4121-4132

2014

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A plausible identifiable model of the canonical NF-κB signaling pathway

PloS one, 2023-06, Vol.18 (6), p.e0286416-e0286416

2023

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Energy-harnessing problem solving of primordial life: Modeling the emergence of catalytic host-nested parasite life cycles

PloS one, 2023-03, Vol.18 (3), p.e0281661-e0281661

2023

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Partitioning and subsampling statistics in compartment-based quantification methods

PloS one, 2023-05, Vol.18 (5), p.e0285784-e0285784

2023

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Identification of Aggregation Mechanism of Acetylated PHF6 and PHF6 Tau Peptides Based on Molecular Dynamics Simulations and Markov State Modeling

ACS chemical neuroscience, 2023-11, Vol.14 (21), p.3959-3971

2023

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Computational study on the carboligation reaction of acetohidroxyacid synthase: New approach on the role of the HEThDP− intermediate

Proteins, structure, function, and bioinformatics, 2010-05, Vol.78 (7), p.1774-1788

2010

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Analysis of electrostatic contributions to the selectivity of interactions between RING-finger domains and ubiquitin-conjugating enzymes

Proteins, structure, function, and bioinformatics, 2009-01, Vol.74 (1), p.92-103

2009

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Knowledge management for systems biology a general and visually driven framework applied to translational medicine

BMC systems biology, 2011-03, Vol.5 (38), p.38-38

2011

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Antiretroviral therapy suppressed participants with low CD4+ T-cell counts segregate according to opposite immunological phenotypes

AIDS (London), 2016-09, Vol.30 (15), p.2275-2287

2016

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Multiscale molecular dynamics of protein aggregation

Current protein & peptide science, 2011-05, Vol.12 (3), p.221-234

2011

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Amyloid-dependent triosephosphate isomerase nitrotyrosination induces glycation and tau fibrillation

Brain (London, England : 1878), 2009-05, Vol.132 (5), p.1335-1345

2009

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Simulation methods with extended stability for stiff biochemical Kinetics

BMC systems biology, 2010-08, Vol.4 (1), p.110-110, Article 110

2010

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Framework-based design of a new all-purpose molecular simulation application: The Adun simulator

Journal of computational chemistry, 2005-11, Vol.26 (15), p.1647-1659

2005

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Ancient Loss of Catalytic Selenocysteine Spurred Convergent Adaptation in a Mammalian Oxidoreductase

Genome biology and evolution, 2024-03, Vol.16 (3)

2024

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CDK6 is activated by the atypical cyclin I to promote E2F‐mediated gene expression and cancer cell proliferation

Molecular oncology, 2023-07, Vol.17 (7), p.1228-1245

2023

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A QM/MM study on the last two steps of the catalytic cycle of acetohydroxyacid synthase

Computational and theoretical chemistry, 2011-06, Vol.966 (1), p.159-166

2011

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The role of residue stability in transient protein-protein interactions involved in enzymatic phosphate hydrolysis. A computational study

Proteins, structure, function, and bioinformatics, 2006-04, Vol.63 (1), p.65-77

2006

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A Truncated Form of IKKα Is Responsible for Specific Nuclear IKK Activity in Colorectal Cancer

Cell reports (Cambridge), 2012-10, Vol.2 (4), p.840-854

2012

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Methylglyoxal produced by amyloid-β peptide-induced nitrotyrosination of triosephosphate isomerase triggers neuronal death in Alzheimer's disease

Journal of Alzheimer's disease, 2014-01, Vol.41 (1), p.273-288

2014

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The Virtual Physiological Human ToolKit

Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 2010-08, Vol.368 (1925), p.3925-3936

2010

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Dynamic chromatin association of IκBα is regulated by acetylation and cleavage of histone H4

New Model of Cystic Fibrosis Transmembrane Conductance Regulator Proposes Active Channel-like Conformation

SBMOpenMM: A Builder of Structure-Based Models for OpenMM

Computational exploration of the binding mode of heme-dependent stimulators into the active catalytic domain of soluble guanylate cyclase

TRIFORCE: Tessellated Semianalytical Solvent Exposed Surface Areas and Derivatives

A plausible identifiable model of the canonical NF-κB signaling pathway

Energy-harnessing problem solving of primordial life: Modeling the emergence of catalytic host-nested parasite life cycles

Partitioning and subsampling statistics in compartment-based quantification methods

Identification of Aggregation Mechanism of Acetylated PHF6 and PHF6 Tau Peptides Based on Molecular Dynamics Simulations and Markov State Modeling

Computational study on the carboligation reaction of acetohidroxyacid synthase: New approach on the role of the HEThDP− intermediate

Analysis of electrostatic contributions to the selectivity of interactions between RING-finger domains and ubiquitin-conjugating enzymes

Knowledge management for systems biology a general and visually driven framework applied to translational medicine

Antiretroviral therapy suppressed participants with low CD4+ T-cell counts segregate according to opposite immunological phenotypes

Multiscale molecular dynamics of protein aggregation

Amyloid-dependent triosephosphate isomerase nitrotyrosination induces glycation and tau fibrillation

Simulation methods with extended stability for stiff biochemical Kinetics

Framework-based design of a new all-purpose molecular simulation application: The Adun simulator

Ancient Loss of Catalytic Selenocysteine Spurred Convergent Adaptation in a Mammalian Oxidoreductase

CDK6 is activated by the atypical cyclin I to promote E2F‐mediated gene expression and cancer cell proliferation

A QM/MM study on the last two steps of the catalytic cycle of acetohydroxyacid synthase

The role of residue stability in transient protein-protein interactions involved in enzymatic phosphate hydrolysis. A computational study

A Truncated Form of IKKα Is Responsible for Specific Nuclear IKK Activity in Colorectal Cancer

Chromatin-Bound IκBα Regulates a Subset of Polycomb Target Genes in Differentiation and Cancer

Methylglyoxal produced by amyloid-β peptide-induced nitrotyrosination of triosephosphate isomerase triggers neuronal death in Alzheimer's disease

The Virtual Physiological Human ToolKit

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