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Category:All HeadlinesWorld & GeopoliticsMarkets & EconomyTech & AIPoliticsSearch results for: "Microsecond-long simulati" (17 stories)

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Microsecond-long simulation reveals the molecular mechanism for the dual inhibition of falcipain-2 and falcipain-3 by antimalarial lead compounds
Lead StoryFrontierstech
Dec 18, 2022

Microsecond-long simulation reveals the molecular mechanism for the dual inhibition of falcipain-2 and falcipain-3 by antimalarial lead compounds

<a href="https://news.google.com/rss/articles/CBMioAFBVV95cUxQVW1yRDhWOVFROWhybHZlVzR1Q3ZGYlBMZ2ROenozZzJVNXdJdGQwbHI3Q0NZWEVnV2FpUnRDS1ptV1M4THlMYTN2d0VYU0VnMUhqUHBsYlJNTm9EejkyazNSR1hhRGhnSVhpUDd5OWtiZWphWVpidEhJRnZiOTJ5TkNHN0stbHUwb2RfM1pSdFRvOHRFeHRWM2NMQmZiU3hu?oc=5" target="_blank">Microsecond-long simulation reveals the molecular mechanism for the dual inhibition of falcipain-2 and falcipain-3 by antimalarial lead compounds</a>  <font color="#6f6f6f">Frontiers</font>

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Search Results for "Microsecond-long simulati"

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16 stories displayed
Pathways to a Protein Folding Intermediate Observed in a 1-Microsecond Simulation in Aqueous Solution
Science | AAASgeneral

Pathways to a Protein Folding Intermediate Observed in a 1-Microsecond Simulation in Aqueous Solution

<a href="https://news.google.com/rss/articles/CBMiZ0FVX3lxTE1EWThOLTI3R09iZlpWeUNEZVpRSmhqOWd0UW1rN3ZuYm1IUnlFdlRndUhNRGhQVnMyTjZLZkxaYnlzUVM2S2ozVmo5NEJfdWtBMGN3LW1adG5mbG43ZVQwdWZyTGRuYzQ?oc=5" target="_blank">Pathways to a Protein Folding Intermediate Observed in a 1-Microsecond Simulation in Aqueous Solution</a>  <font color="#6f6f6f">Science | AAAS</font>

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How China’s Jiuzhang quantum computer achieved in 25.6 microseconds that classical simulation may take 10⁴
The Economic Timesworld

How China’s Jiuzhang quantum computer achieved in 25.6 microseconds that classical simulation may take 10⁴

<a href="https://news.google.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?oc=5" target="_blank">How China’s Jiuzhang quantum computer achieved in 25.6 microseconds that classical simulation may take 10⁴</a>  <font color="#6f6f6f">The Economic Times</font>

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Microsecond-timescale simulations suggest 5-HT–mediated preactivation of the 5-HT3A serotonin receptor
PNASgeneral

Microsecond-timescale simulations suggest 5-HT–mediated preactivation of the 5-HT3A serotonin receptor

<a href="https://news.google.com/rss/articles/CBMiXEFVX3lxTE9abFlvcmxKc2xfOGJhUEtKS2RCRTVxWVZfWUd6Y1BZRDNRajFVdkpQNk1XYm96alJmWGdxdmdRYkpwNnJWanl5SXZiakxOaHVvbDduRnk0LUY4eUN2?oc=5" target="_blank">Microsecond-timescale simulations suggest 5-HT–mediated preactivation of the 5-HT3A serotonin receptor</a>  <font color="#6f6f6f">PNAS</font>

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Microsecond molecular dynamics simulation of Aβ
Naturegeneral

Microsecond molecular dynamics simulation of Aβ

<a href="https://news.google.com/rss/articles/CBMiU0FVX3lxTE8tYTRRbEJkeWQzWnlXNVBMazlsU2JMeUQ2MzZTZE8yOEpQeDhsZjdZMW85Y3hucEl3bE5fRlpfTEx3NmpQOEpwanRBWEh0dG90NUVF?oc=5" target="_blank">Microsecond molecular dynamics simulation of Aβ</a>  <font color="#6f6f6f">Nature</font>

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Microsecond Timescale Conformational Dynamics of a Small-Molecule Ligand within the Active Site of a Protein
Wiley Online Librarygeneral

Microsecond Timescale Conformational Dynamics of a Small-Molecule Ligand within the Active Site of a Protein

<a href="https://news.google.com/rss/articles/CBMicEFVX3lxTFAweE1XT1M3VDZ6Q0hNWEpRUUNhNXNkdS04bE9kZFNLMU5RZy1KRXR2UGRwa1UwaEdZU21zcDNlS1dVTEZzaVdZNEZ1UWVtN3hPUW5LZmtjeGtkTU1tWVd0UkFFY0tZODRRaXJQallMNzg?oc=5" target="_blank">Microsecond Timescale Conformational Dynamics of a Small-Molecule Ligand within the Active Site of a Protein</a>  <font color="#6f6f6f">Wiley Online Library</font>

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Cerebras Breaks Exascale Record for Molecular Dynamics Simulations
Cerebrasgeneral

Cerebras Breaks Exascale Record for Molecular Dynamics Simulations

<a href="https://news.google.com/rss/articles/CBMimwFBVV95cUxQZWpkMExOb0thSzgwXy1RS1ljTFMwdE1fYkVocElNa0tRbTVHUHZaRFRTeVlQdDBudEhIZ1lqR2Y2a3dTYjJQQ2k4bC1RdHJ2OGhSVUdWVHItRmZYeXpUV3JrcUJ6Z3pEZ09LUGEtVW1DV1V3V1V2a3dRdmZ4OHVhdng5V0F2TkpkYW40QzBwd3FWcEhXUlJNN21FZw?oc=5" target="_blank">Cerebras Breaks Exascale Record for Molecular Dynamics Simulations</a>  <font color="#6f6f6f">Cerebras</font>

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Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulations
Rockefeller University Pressgeneral

Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulations

<a href="https://news.google.com/rss/articles/CBMilgFBVV95cUxNS0RFRnpnNzFMQWY5Y0J1cWM5REVzODdRLVozcEdQckRHUU84YUQ3UzNZMkhYUk10dDNvSUhxOThXRFBCZ2xpb1VyQ3c5WFYzV002YVpIaW1fWUxadW00ZWtlOGE1dDhFSTJueWhnWUtQMllKMmdseVZFQVcwMFZJak1mckFpM0RtTURPVGRxX0owd3FTSnc?oc=5" target="_blank">Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulations</a>  <font color="#6f6f6f">Rockefeller University Press</font>

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One-microsecond molecular dynamics simulation of channel gating in a nicotinic receptor homologue
PNASgeneral

One-microsecond molecular dynamics simulation of channel gating in a nicotinic receptor homologue

<a href="https://news.google.com/rss/articles/CBMiXEFVX3lxTE5qYjBHSVoydVdtUTBLcUNESFYzVmlGSjZvamZUZlFqZEY2Q1Z2cU5TMmdYdW15QTdfaF9mQjR1TmxHQTBhMXl6NXdlclhYdmxadzVuc3NrM2xCOWdH?oc=5" target="_blank">One-microsecond molecular dynamics simulation of channel gating in a nicotinic receptor homologue</a>  <font color="#6f6f6f">PNAS</font>

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Microsecond-timescale MD simulation of EGFR minor mutation predicts the structural flexibility of EGFR kinase core that reflects EGFR inhibitor sensitivity
Naturegeneral

Microsecond-timescale MD simulation of EGFR minor mutation predicts the structural flexibility of EGFR kinase core that reflects EGFR inhibitor sensitivity

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1zTUxuNzRLYkhKd25rZ0Vjc3pWbThqX2c1Tk02bGt5ZnZ1SFViMUd3Z3lvRmNvUlRxOVBFUGF6c3I3VXloT0RXQzMtTGlzRmhXdnVKZl9HVjF0VGpiSEY4?oc=5" target="_blank">Microsecond-timescale MD simulation of EGFR minor mutation predicts the structural flexibility of EGFR kinase core that reflects EGFR inhibitor sensitivity</a>  <font color="#6f6f6f">Nature</font>

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CUDA Spotlight: GPU-Accelerated Molecular Dynamics
NVIDIAgeneral

CUDA Spotlight: GPU-Accelerated Molecular Dynamics

<a href="https://news.google.com/rss/articles/CBMijgFBVV95cUxQaXBuVUV6QnRtSjdZNldHQlJvdFkyQm5CVmNQMXVBRlNwZGNlTjRZamRkRVJsZ09xZHBRdUx2eVFzeUtEcVRQQ3c2bnd1WVg2bzE0V3Eya3FPZ2NxZHl3SmplT2ZfVE5tbTNJOHdseVp4S2JNMWttMFVJN3J3eXZ5RExBS0VhTWtGdFVmSlVB?oc=5" target="_blank">CUDA Spotlight: GPU-Accelerated Molecular Dynamics</a>  <font color="#6f6f6f">NVIDIA</font>

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Picosecond to microsecond dynamics of X-ray irradiated materials at MHz pulse repetition rate
Naturegeneral

Picosecond to microsecond dynamics of X-ray irradiated materials at MHz pulse repetition rate

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1TaXJFMHdCQjA0WlVoQkRjWUpRS09DbUpRZlMtaU1oelpzYXI4MFV6ajdUYkdWbmxWN3h3ZlI1SWxBdHpJYUxIY0JSMzgxNXhfNWpJU2ExbzM4UzJBUFBn?oc=5" target="_blank">Picosecond to microsecond dynamics of X-ray irradiated materials at MHz pulse repetition rate</a>  <font color="#6f6f6f">Nature</font>

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Liquid–liquid transition in supercooled water suggested by microsecond simulations
PNASgeneral

Liquid–liquid transition in supercooled water suggested by microsecond simulations

<a href="https://news.google.com/rss/articles/CBMiXEFVX3lxTE8tUTVMLVZMR1ZxUUp6Q0dZV0lnVWliaGY5VU52dFRQaDJwMEVkQk1meWkyWmRYZ2xIVDVRYzB2WDB2eGVQWGtwYjRfalR1dm1IcVhBY3A1aWxJM0w5?oc=5" target="_blank">Liquid–liquid transition in supercooled water suggested by microsecond simulations</a>  <font color="#6f6f6f">PNAS</font>

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Selective inhibition mechanism of RVX-208 to the second bromodomain of bromo and extraterminal proteins: insight from microsecond molecular dynamics simulations
Naturetech

Selective inhibition mechanism of RVX-208 to the second bromodomain of bromo and extraterminal proteins: insight from microsecond molecular dynamics simulations

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE4yaDR1TEJsMEVHVUFEUG9MdjhzVmc3bmpTbEdfQ3hsR1F4V2lDNGdhVnZMMVUtUDlJV00zTWZvOWpBRE9zUnhWQ1VoT2J6eEFEbHVaZkhoMzZyekhKT1k4?oc=5" target="_blank">Selective inhibition mechanism of RVX-208 to the second bromodomain of bromo and extraterminal proteins: insight from microsecond molecular dynamics simulations</a>  <font color="#6f6f6f">Nature</font>

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Interaction and dynamics of chemokine receptor CXCR4 binding with CXCL12 and hBD-3
Naturegeneral

Interaction and dynamics of chemokine receptor CXCR4 binding with CXCL12 and hBD-3

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9NUVZCWENCbXZsdExFV1Z4NEVZd1FsMmNyWTgzVFZMRU9BUXBNcFdUUjk2LWRCZE96WmNqSmUwaUx5QTR2SkNocVNNcXVLcUZtWEhianlxQldlZjBHYnAw?oc=5" target="_blank">Interaction and dynamics of chemokine receptor CXCR4 binding with CXCL12 and hBD-3</a>  <font color="#6f6f6f">Nature</font>

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The ligand binding mechanism to purine nucleoside phosphorylase elucidated via molecular dynamics and machine learning
Naturegeneral

The ligand binding mechanism to purine nucleoside phosphorylase elucidated via molecular dynamics and machine learning

<a href="https://news.google.com/rss/articles/CBMiVEFVX3lxTE5zZFpaOTg5TGQ3OVEwT0t4UnppTHBPY1BpdFpzeGhIRE95aVNESWtrR1Y2WHR2M01QYXBEd29hV21fOGZ3WG4xb1doeXpkRWlrOEgwZQ?oc=5" target="_blank">The ligand binding mechanism to purine nucleoside phosphorylase elucidated via molecular dynamics and machine learning</a>  <font color="#6f6f6f">Nature</font>

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Permeability and ammonia selectivity in aquaporin TIP2;1: linking structure to function
Natureworld

Permeability and ammonia selectivity in aquaporin TIP2;1: linking structure to function

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE10SGxETmxSY0VDUEFlc2g4b0xZWFRXVGludVh6Z0NDNEFPVno2dUw1VGtQYmJfTGhCelF4NjFhbFFnVVhLeXYzNUhTSEJnS0h4akVnYnJXNEVMelVSYjlN?oc=5" target="_blank">Permeability and ammonia selectivity in aquaporin TIP2;1: linking structure to function</a>  <font color="#6f6f6f">Nature</font>

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