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Computational Biomedicine; IAS-5

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Computational Biomedicine; IAS-5

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Journal Article Review 2

JuSER: Hits 161 - 180 of 275

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161

Journal Article

Designing the Sniper: Improving Targeted Human Cytolytic Fusion Proteins for Anti-Cancer Therapy via Molecular Simulation

Bochicchio, Anna
2017

Biomedicines, 5 (2017) 1, S. 9

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Select result number 162

162

Journal Article

Proton Dynamics in Protein Mass Spectrometry

Li, Jinyu
2017

The @journal of physical chemistry letters, 8 (2017) 6, S. 1105 - 1112

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Select result number 163

163

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Open Boundary Simulations of Proteins and Their Hydration Shells by Hamiltonian Adaptive Resolution Scheme

Tarenzi, Thomas
2017

Journal of chemical theory and computation, 13 (2017) 11, S. 5647–5657

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164

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Recent advances in dynamic docking for drug discovery

De Vivo, Marco
2017

Wiley interdisciplinary reviews / Computational Molecular Science, 7 (2017) 6, S. e1320 -

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165

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Allosteric Communication Networks in Proteins Revealed through Pocket Crosstalk Analysis

La Sala, Giuseppina
2017

ACS central science, 3 (2017) 9, S. 949 - 960

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166

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Novel xanthone-polyamine conjugates as catalytic inhibitors of human topoisomerase IIα

Minniti, Elirosa
2017

Bioorganic & medicinal chemistry letters, 27 (2017) 20, S. 4687 - 4693

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167

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Unbinding Kinetics of a p38 MAP Kinase Type II Inhibitor from Metadynamics Simulations

Casasnovas, Rodrigo
2017

Journal of the American Chemical Society, 139 (2017) 13, S. 4780 - 4788

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168

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Structural heterogeneity of the $μ$-opioid receptor’s conformational ensemble in the apo state

Sena, Diniz M.
2017

Scientific reports, 7 (2017) S. 45761

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169

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Multi-scale simulations of membrane proteins: The case of bitter taste receptors

Suku, Eda
2017

Journal of science, 2 (2017) 1, S. 15 - 21

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170

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Meshing molecular surfaces based on analytical implicit representation

Quan, Chaoyu
2017

Journal of molecular graphics and modelling, 71 (2017) S. 200 - 210

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171

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Molecular Dynamics Simulations of the [2Fe-2S] Cluster-Binding Domain of NEET Proteins Reveal Key Molecular Determinants That Induce Their Cluster Transfer/Release

Pesce, Luca
2017

The @journal of physical chemistry / B, 121 (2017) 47, S. 10648–10656

Restricted Published on 2017-10-31. Available in OpenAccess from 2018-10-31. Restricted

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172

Journal Article

Pharmacophore Identification and Scaffold Exploration to Discover Novel, Potent, and Chemically Stable Inhibitors of Acid Ceramidase in Melanoma Cells

Ortega, Jose Antonio
2017

Journal of medicinal chemistry, 60 (2017) 13, S. 5800 - 5815

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173

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Nanoparticle-Based Receptors Mimic Protein-Ligand Recognition

Riccardi, Laura
2017

Chem, 3 (2017) 1, S. 92 - 109

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174

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Agonist Binding to Chemosensory Receptors: A Systematic Bioinformatics Analysis

Fierro, Fabrizio
2017

Frontiers in molecular biosciences, 4 (2017) S. 63

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175

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The conserved macrodomains of the non-structural proteins of Chikungunya virus and other pathogenic positive strand RNA viruses function as mono-ADP-ribosylhydrolases

Eckei, Laura
2017

Scientific reports, 7 (2017) S. 41746 -

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176

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Copper(II) and the pathological H50Q α-synuclein mutant: Environment meets genetics

Villar-Piqué, Anna
2017

Communicative & integrative biology, 10 (2017) 1, S. e1270484 -

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177

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Unifying view of mechanical and functional hotspots across class A GPCRs

Ponzoni, Luca
2017

PLoS Computational Biology, 13 (2017) 2, S. e1005381 -

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Select result number 178

178

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HRD Motif as the Central Hub of the Signaling Network for Activation Loop Autophosphorylation in Abl Kinase

La Sala, Giuseppina
2016

Journal of chemical theory and computation, 12 (2016) 11, S. 5563 - 5574

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179

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A Self-Activated Mechanism for Nucleic Acid Polymerization Catalyzed by DNA/RNA Polymerases

Genna, Vito
2016

Journal of the American Chemical Society, 138 (2016) 44, S. 14592 - 14598

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180

Journal Article

Intramolecular hydrophobic interactions are critical mediators of STAT5 dimerization

Fahrenkamp, Dirk
2016

Scientific reports, 6 (2016) S. 35454 -

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Publications database 275 Open Access 174

Journal Article Review 2

Carloni, Paolo 171 Rossetti, Giulia 81 Giorgetti, Alejandro 40 Ippoliti, Emiliano 31 Alfonso-Prieto, Mercedes 27 Bondar, Ana-Nicoleta 18 more ... De Vivo, Marco 17 Calandrini, Vania 15 Capelli, Riccardo 14 Legname, Giuseppe 11 Musiani, Francesco 11 Rothlisberger, Ursula 11 Parrinello, Michele 10 Cong, Xiaojing 9 Bolnykh, Viacheslav 8 Li, Jinyu 8 Nechushtai, Rachel 8 Arnesano, Fabio 7 Bolognesi, Maria Laura 7 Cavalli, Andrea 7 Dreyer, Jens 7 Lüscher, Bernhard 7 Olsen, Jógvan Magnus Haugaard 7 Zuo, Ke 7 Albani, Simone 6 Bongarzone, Salvatore 6 Di Cairano, Loris 6 Grandori, Rita 6 Magistrato, Alessandra 6 Marjault, Henri-Baptiste 6 see all ... less ...

ohne Topic 85 Molecular Information Processing in Cellular Systems 68 Theory, modelling and simulation 66 Computational Science and Mathematical Methods 52 Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups 18 FOR 2518: Funktionale Dynamik von Ionenkanälen und Transportern - DynIon - 15 more ... (Dys-)function and Plasticity 14 Brain Dysfunction and Plasticity 14 Connectivity and Activity 12 Molecular and Cellular Information Processing 5 Multilevel Brain Organization and Variability 5 Decoding Brain Organization and Dysfunction 4 Protonentransfer und Substraterkennung in SLC17-Transportern 4 HPC-aided design of drugs with improved kinetics of binding 2 Information Processing in Neuronal Networks 2 Neuroimaging 2 Post-Transcriptional regulation mechanism of Human Aromatase investigated by molecular simulations 2 Towards the design of allosteric ligands binding to the human muscarinic receptor M2 2 Conceptual and Methodological Research 1 Condensed Matter and Molecular Building Blocks 1 Doktorand ohne besondere Förderung 1 Establishing pipelines for machine learning and molecular simulation-based prediction of lncRNA-DNA-protein interactions 1 Exploring the conformational properties of alpha-synuclein variants: an enhanced sampling study 1 GRK 2416: MultiSenses-MultiScales: Neue Ansätze zur Aufklärung neuronaler multisensorischer Integration 1 Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE) 1 Human Brain Project Specific Grant Agreement 2 1 Human Brain Project Specific Grant Agreement 3 1 Neuroscientific Data Analytics and AI 1 Predicting the apo-structure of a NEET protein involved in health and disease 1 SimLab Neuroscience 1 see all ... less ...

Computational Biomedicine; IAS-5 Computational Biomedicine; INM-9 216 Jülich Supercomputing Center; JSC 71 GRS; GRS 67 JARA - HPC; JARA-HPC 11 Jara-Institut Quantum Information; INM-11 10 more ... Molekular- und Zellphysiologie; IBI-1 4 Molekulare Organisation des Gehirns; INM-2 4 Nuklearchemie; INM-5 3 Strukturelle und funktionelle Organisation des Gehirns; INM-1 3 Biomakromolekulare Systeme und Prozesse; IBI-4 1 German Research School for Simulation Sciences; GRS; GRS Aachen 1 JARA-SOFT; JARA-SOFT 1 Jülich-Aachen Research Alliance - Translational Brain Medicine; JARA-BRAIN 1 Physik der Medizinischen Bildgebung; INM-4 1 Theoretische Physik der Lebenden Materie; IBI-5 1 Theorie der Weichen Materie und Biophysik; IAS-2 1 see all ... less ...

2022 31 2021 29 2017 27 2019 22 2023 21 2015 20 more ... 2020 20 2016 15 2018 15 2014 4 2012 2 2024 2 2013 1 see all ... less ...

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