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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 181 - 200 of 275

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181

Journal Article

Conformational effects in protein electrospray-ionization mass spectrometry

Li, Jinyu
2016

Mass spectrometry reviews, 35 (2016) 1, S. 111 - 122

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Select result number 182

182

Journal Article

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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Select result number 183

183

Journal Article

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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Select result number 184

184

Journal Article

Conformational ensemble of human α-synuclein physiological form predicted by molecular simulations

Rossetti, Giulia
2016

Physical chemistry, chemical physics, 18 (2016) 8, S. 5702 - 5706

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Select result number 185

185

Journal Article

Computer Modeling of Halogen Bonds and Other σ-Hole Interactions

Kolář, Michal H.
2016

Chemical reviews, 116 (2016) 9, S. 5155 - 5187

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Select result number 186

186

Journal Article

Role of Molecular Dynamics and Related Methods in Drug Discovery

De Vivo, Marco
2016

Journal of medicinal chemistry, 59 (2016) 9, S. 4035 - 4061

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Select result number 187

187

Journal Article

Cooperative motion of a key positively charged residue and metal ions for DNA replication catalyzed by human DNA Polymerase-η

Genna, Vito
2016

Nucleic acids symposium series, 44 (2016) 6, S. 2827 - 2836

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Select result number 188

188

Journal Article

Carnosine and Homocarnosine Degradation Mechanisms by the Human Carnosinase Enzyme CN1: Insights from Multiscale Simulations

Pavlin, Matic
2016

Biochemistry, 55 (2016) 19, S. 2772 - 2784

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Select result number 189

189

Journal Article

Permeability Coefficients of Lipophilic Compounds Estimated by Computer Simulations

Ghaemi, Zhaleh
2016

Journal of chemical theory and computation, 12 (2016) 8, S. 4093 - 4099

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Select result number 190

190

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Engineered human angiogenin mutations in the placental ribonuclease inhibitor complex for anticancer therapy: Insights from enhanced sampling simulations

Cong, Xiaojing
2016

Protein science, 25 (2016) 8, S. 1451 - 1460

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191

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Ligand binding to anti-cancer target CD44 investigated by molecular simulations

Nguyen, Tin Trung
2016

Journal of molecular modeling, 22 (2016) 7, S. 165

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Select result number 192

192

Journal Article

Rational approach to an antiprion compound with a multiple mechanism of action

Bolognesi, Maria Laura
2015

Future medicinal chemistry, 7 (2015) 16, S. 2113 - 2120

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Select result number 193

193

Journal Article

Novel angiogenin mutants with increased cytotoxicity enhance the depletion of pro-inflammatory macrophages and leukemia cells ex vivo

Cremer, Christian
2015

Cancer immunology immunotherapy, 64 (2015) 12, S. 1575 - 1586

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Select result number 194

194

Journal Article

An optimized polyamine moiety boosts the potency of human type II topoisomerase poisons as quantified by comparative analysis centered on the clinical candidate F14512

Palermo, Giulia
2015

Chemical communications, 51 (2015) 76, S. 14310 - 14313

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Select result number 195

195

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Polar Flattening and the Strength of Halogen Bonding

Sedlak, Robert
2015

Journal of chemical theory and computation, 11 (2015) 10, S. 4727 - 4732

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Select result number 196

196

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Substrate Specificity, Inhibitor Selectivity and Structure-Function Relationships of Aldo-Keto Reductase 1B15: A Novel Human Retinaldehyde Reductase

Giménez-Dejoz, Joan
2015

PLoS one, 10 (2015) 7, S. e0134506 -

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Select result number 197

197

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The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition

Fanfrlík, Jindřich
2015

ACS chemical biology, 10 (2015) 7, S. 1637 - 1642

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Select result number 198

198

Journal Article

Computational metallomics of the anticancer drug cisplatin

Calandrini, Vania
2015

Journal of inorganic biochemistry, 153 (2015) S. 231 - 238

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Select result number 199

199

Journal Article

Rare FLT3 deletion mutants may provide additional treatment options to patients with AML: an approach to individualized medicine

Chatain, N.
2015

Leukemia, 29 (2015) 12, S. 2434 - 2438

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200

Journal Article

Insight into the Mechanism of Intramolecular Inhibition of the Catalytic Activity of Sirtuin 2 (SIRT2)

Li, Jinyu
2015

PLoS one, 10 (2015) 9, S. e0139095 -

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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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