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Category:All HeadlinesWorld & GeopoliticsMarkets & EconomyTech & AIPoliticsSearch results for: "Improving Docking Perform" (30 stories)

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Enhancing structure-based virtual screening of MDM2–p53 inhibitors: a benchmark of machine learning vs. traditional docking scoring functions
Lead StoryFrontiersworld
Jan 15

Enhancing structure-based virtual screening of MDM2–p53 inhibitors: a benchmark of machine learning vs. traditional docking scoring functions

<a href="https://news.google.com/rss/articles/CBMilwFBVV95cUxPUU41Zi1ORHNZZnJQQXFjTkZqQ2xQaUNOM25NX2I2WjVjUzJNbWdSbEJfSVdLc0cwdzZPdzRnTGtfOUg5OC05NE9oN2lMc29RVGM2ZjFzdThNNVh0NTdUekFLYk1zYzBaaWl2SHI3X0NaN1kwME13a1hZWklDNEhlWnBWcVNyVHhJR3BnbEUxRzMyVkxqOU1Z?oc=5" target="_blank">Enhancing structure-based virtual screening of MDM2–p53 inhibitors: a benchmark of machine learning vs. traditional docking scoring functions</a>  <font color="#6f6f6f">Frontiers</font>

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Search Results for "Improving Docking Perform"

Updated every 3 minutes via FreeNewsApi, GNews, Currents API & Google News

29 stories displayed
New LiDAR-IMU SLAM framework improves docking accuracy for autonomous modular buses
EurekAlert! Science News Releasesgeneral

New LiDAR-IMU SLAM framework improves docking accuracy for autonomous modular buses

<a href="https://news.google.com/rss/articles/CBMiXEFVX3lxTE55MDFPdnRfS0E1MjI0UG5rVlBuRk5sUUp6ZFF3N2psQTQ1QmlMZENDdmxjM184Zjdqc2RyMXJjenByYm1GYVNnX2FNY0NtU1JEOVZCR0lVUlZ0VVBu?oc=5" target="_blank">New LiDAR-IMU SLAM framework improves docking accuracy for autonomous modular buses</a>  <font color="#6f6f6f">EurekAlert! Science News Releases</font>

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Hybrid quantum/classical docking of covalent and non-covalent ligands with Attracting Cavities
Naturegeneral

Hybrid quantum/classical docking of covalent and non-covalent ligands with Attracting Cavities

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE8zOHAtSkRtb040cEtqTDhPbHoyVDYxbHRmdndLMVpySWR2SGVwTFRpU0hTcnczOHdyOFpqUncxaG42QTBlVmhMdENtRFhFLXhpUWVLTUdPNWltODhqdUFJ?oc=5" target="_blank">Hybrid quantum/classical docking of covalent and non-covalent ligands with Attracting Cavities</a>  <font color="#6f6f6f">Nature</font>

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New ROG Xbox Ally Updates: Docking Improvements, Auto SR Preview, Collective Library, Enhanced Vibration, and More
XBOX Wiregeneral

New ROG Xbox Ally Updates: Docking Improvements, Auto SR Preview, Collective Library, Enhanced Vibration, and More

<a href="https://news.google.com/rss/articles/CBMimgFBVV95cUxNTnpadk11THlyQjJwdlVlVnNhQVZfZHpLbE13Zm05Z1dqZzZlZ3E1M25FSlFkbjlYdUZsV3Y4Zm44b09ERTE2VlB2enhHbkxRR1VOUUNKX1RIdVZhaG5IN1RhWUNRQ0J5WGlQc3BKSnM0R0tKQmJRRXUtdUZEQU0ydG9JbHJESjlCbFc1QkpOdm1ZWE1ubC1la0h3?oc=5" target="_blank">New ROG Xbox Ally Updates: Docking Improvements, Auto SR Preview, Collective Library, Enhanced Vibration, and More</a>  <font color="#6f6f6f">XBOX Wire</font>

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Improving Docking Performance Using Negative Image-Based Rescoring
Frontiersgeneral

Improving Docking Performance Using Negative Image-Based Rescoring

<a href="https://news.google.com/rss/articles/CBMikgFBVV95cUxNVG1rNFRWci1jMXRPV2dRUm91SmJwOFlhanVNUS1zUU05c1pYb2xzeG9ZZ1FHUjRxckZnYVZUMHJlUmZfZVk2WHE3d1YteUpPU3F0eEVRcnA3cDlQUUNwSHNQNi1DSDVKY1lsLV9RUzdYWXljNzJiNzdLdERya1FBeHhTYnRLNm5MOGNIQWFkc2NQZw?oc=5" target="_blank">Improving Docking Performance Using Negative Image-Based Rescoring</a>  <font color="#6f6f6f">Frontiers</font>

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Molecular docking as a tool for the discovery of molecular targets of nutraceuticals in diseases management
Naturegeneral

Molecular docking as a tool for the discovery of molecular targets of nutraceuticals in diseases management

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1ZWUpsM2d0WU04d0x1Sy12VDUwaDJBS0pjanFjMm4xcHBFbDhqTDMwZjJ5UjJOcGVaNjBkd21CNy1aeXd1SHFDdTFTc0pTaGNJSjljc0w0R2hwWXA3cXg4?oc=5" target="_blank">Molecular docking as a tool for the discovery of molecular targets of nutraceuticals in diseases management</a>  <font color="#6f6f6f">Nature</font>

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Quality over quantity: how to get the best results when using docking for repurposing
Frontiersgeneral

Quality over quantity: how to get the best results when using docking for repurposing

<a href="https://news.google.com/rss/articles/CBMilwFBVV95cUxNVVNHdkhTNGVsZV9OU0NTUXROQkJtdlBYa3MxU1FDUklOclZoV2d3eVQ4blZjN0llT3JVWERlWTM1dWpEaVJXaS1wdFI4REFJSkdYREVyWGV4cEJCWkxXdEtreVBuUVBKZ3F4T0dqSF9Tb2cyN3kzYUhZVnRnN3hBVmxVZnRjb2JSTGlIc2o2OFpiRnZRVWFz?oc=5" target="_blank">Quality over quantity: how to get the best results when using docking for repurposing</a>  <font color="#6f6f6f">Frontiers</font>

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AI-guided competitive docking for virtual screening and compound efficacy prediction
Naturetech

AI-guided competitive docking for virtual screening and compound efficacy prediction

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE80VHZleHpac21RaDg2QXRoZkhTbUk1Vk1IdGk0aEdZcm1ZMGdWT0NsWmZ1WW4wZUFpVGxuQW1QeDRBVEZIZ3M0UkZrQWkwckp0RHd0OEJpc1dhVHlaemNz?oc=5" target="_blank">AI-guided competitive docking for virtual screening and compound efficacy prediction</a>  <font color="#6f6f6f">Nature</font>

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An artificial intelligence accelerated virtual screening platform for drug discovery
Naturegeneral

An artificial intelligence accelerated virtual screening platform for drug discovery

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE14N0U4V3E5NjczajhSX1ZMSGF2WHNfbHVGa1Z3Z2pLY1VGMWRYY3drb0Z1ZUZVbWpoTkVxeEtEUXdZVEpKa240RnNQTVlWbXczdTAwU3ppYUc2aWVPYzYw?oc=5" target="_blank">An artificial intelligence accelerated virtual screening platform for drug discovery</a>  <font color="#6f6f6f">Nature</font>

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A Folding-Docking-Affinity framework for protein-ligand binding affinity prediction | Communications Chemistry
Natureworld

A Folding-Docking-Affinity framework for protein-ligand binding affinity prediction | Communications Chemistry

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1NUk5XVmdkT09qNGhPZEs2b1NtOW5KcW50QzdkMGNYd2Q1UzdJMDhObzdSalFGTUV5Y3BLLUhUdWdTakp5THNDcF9xbUpRRWdzYTZyeVFGejVfRlZReF9V?oc=5" target="_blank">A Folding-Docking-Affinity framework for protein-ligand binding affinity prediction | Communications Chemistry</a>  <font color="#6f6f6f">Nature</font>

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Teaching old docks new tricks with machine learning enhanced ensemble docking
Naturegeneral

Teaching old docks new tricks with machine learning enhanced ensemble docking

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFA5amhPYmthLWZ1eF9KNmhaTmRPakdiblpkOWxhRVlvZ3M1RF80WDJLeVNrdXBERzVBVVBtLUdFTmpCUldsMmJ1d0tybFlwOW1GTGhkdlVEVDFGLUxhWlI4?oc=5" target="_blank">Teaching old docks new tricks with machine learning enhanced ensemble docking</a>  <font color="#6f6f6f">Nature</font>

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FeatureDock for protein-ligand docking guided by physicochemical feature-based local environment learning using transformer
Naturegeneral

FeatureDock for protein-ligand docking guided by physicochemical feature-based local environment learning using transformer

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1uS2lNbkRTSzdFOGg1VlE3ZldTaVZJY05XaUd5clZDZHhvaVhIRnlaZmIxd2VWY0ZKbHVTek1yRkxGWE1BNnBNTkt0RGEza0R3ZmRTM2dxRi0tcEpDRml3?oc=5" target="_blank">FeatureDock for protein-ligand docking guided by physicochemical feature-based local environment learning using transformer</a>  <font color="#6f6f6f">Nature</font>

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Rapid traversal of vast chemical space using machine learning-guided docking screens
Naturescience

Rapid traversal of vast chemical space using machine learning-guided docking screens

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE03T2pjQmUzWUtOcWE5TjdzRy1XT3RnNlFob3hhcWRXUTd0TnRqcmdEUXlIYkpYbVNpWDQzcnBYc2NMQ2xlZXVIYWlIeUNTbFExZTZabl9oXzluSXNPZGdJ?oc=5" target="_blank">Rapid traversal of vast chemical space using machine learning-guided docking screens</a>  <font color="#6f6f6f">Nature</font>

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A practical guide to large-scale docking
Naturegeneral

A practical guide to large-scale docking

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1qeENHWjBHZklFNlVXVUpzdlRnRDFGWFlXRF9EeUVrZWVBQTZkd1F3UW9tNGJ5RDNjZDhEbWNqTW9pMUhlMUxuV1F3TDRQRzdLbWg3X0FNYk9rc2s3cWo4?oc=5" target="_blank">A practical guide to large-scale docking</a>  <font color="#6f6f6f">Nature</font>

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Interformer: an interaction-aware model for protein-ligand docking and affinity prediction
Naturegeneral

Interformer: an interaction-aware model for protein-ligand docking and affinity prediction

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5HWlV2NDMtMjBGWU9QenFxZmlKQU14VTFvOEZoZ21idkJ3Qk9CblNzcVdsdEFDRENTbFJfY2syYnZoZkxCbF9BWTdoNGU0TTZhWDdBUHNkZGFHVUppOGZj?oc=5" target="_blank">Interformer: an interaction-aware model for protein-ligand docking and affinity prediction</a>  <font color="#6f6f6f">Nature</font>

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Ensemble learning from ensemble docking: revisiting the optimum ensemble size problem
Naturegeneral

Ensemble learning from ensemble docking: revisiting the optimum ensemble size problem

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9rd09JNURvaUlPZzNsVlhRd2htX0wzT3E5a0JqdmFRN0psTTljbGJhWWp6YWxLSUV3NFVmZkhfakRiVHZ4RUdxbXE2Tk1sUW9ybk5OeUQyZ3pOSUdxZmJj?oc=5" target="_blank">Ensemble learning from ensemble docking: revisiting the optimum ensemble size problem</a>  <font color="#6f6f6f">Nature</font>

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ColdstartCPI: Induced-fit theory-guided DTI predictive model with improved generalization performance
Naturegeneral

ColdstartCPI: Induced-fit theory-guided DTI predictive model with improved generalization performance

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9VMHVxOVZDbm9kc2JjLXRvZzhOdXZLR2dWNmp0eVU1UW9mUUZwWFkwM09YbG0tdWpDUzNaeDlHVDRBWjJNVWROX1Iycll0UVRXdDFwdm1fUFN6U25sek1j?oc=5" target="_blank">ColdstartCPI: Induced-fit theory-guided DTI predictive model with improved generalization performance</a>  <font color="#6f6f6f">Nature</font>

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Exponential consensus ranking improves the outcome in docking and receptor ensemble docking
Naturegeneral

Exponential consensus ranking improves the outcome in docking and receptor ensemble docking

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9FZm9KVEVLVGh1enAwbW45d3dfZi0yeHJKQkpiZklaV0h1OWRLcXFiNG9iQ2dFbTlFMHYzMm1mZUl1a2VXRTlDV1pRU1RJRHJDZWozaUZyRWJZOG9aTEFj?oc=5" target="_blank">Exponential consensus ranking improves the outcome in docking and receptor ensemble docking</a>  <font color="#6f6f6f">Nature</font>

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Improving the generalizability of protein-ligand binding predictions with AI-Bind
Naturetech

Improving the generalizability of protein-ligand binding predictions with AI-Bind

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9Kc1hrS3h0azllMnZZcl82ZDlURmRVOTZER1N2enpYZUQwZ0JDNmZDek9Xa2R0SG51SXNqS0JMakMxQmhlU3ZmZF9YY0V2c2JsWl9qazlpMFljaUx3T1RV?oc=5" target="_blank">Improving the generalizability of protein-ligand binding predictions with AI-Bind</a>  <font color="#6f6f6f">Nature</font>

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Protein-ligand binding affinity prediction using multi-instance learning with docking structures
Frontiersgeneral

Protein-ligand binding affinity prediction using multi-instance learning with docking structures

<a href="https://news.google.com/rss/articles/CBMilAFBVV95cUxPeDBrd2hrR2FsSS0yNWhob1pUYnY1RERTb2hlN2dXSkx3VGV5QnNDY21sdmF3N0I0X25LQVZIN2VnaHAybF9LelhJX0VZaF92cXJGalQ0RFJxYXVNdzliNWc4ZzVoTTg2YkdacFR0SFNkeTAyZDRuMGhITnBfdDRWcEZHNGdZUVEyWWVQWVBkS0FDMjJm?oc=5" target="_blank">Protein-ligand binding affinity prediction using multi-instance learning with docking structures</a>  <font color="#6f6f6f">Frontiers</font>

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MEGA PROTAC, MEGA DOCK-based PROTAC mediated ternary complex formation pipeline with sequential filtering and rank aggregation
Naturegeneral

MEGA PROTAC, MEGA DOCK-based PROTAC mediated ternary complex formation pipeline with sequential filtering and rank aggregation

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9fRlR3SnVpV1l3cVdBQ3Z6SE5zcnpFLWUzTzctUUd1aVRFcmNaTU9mNWJHSUY2VFJtbHRaLUZWMWlvQzdjMEpQTVUwUHpWQnJYRUIzd0l4U21GZDU1b25n?oc=5" target="_blank">MEGA PROTAC, MEGA DOCK-based PROTAC mediated ternary complex formation pipeline with sequential filtering and rank aggregation</a>  <font color="#6f6f6f">Nature</font>

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The Best MacBook Pro Docking Station You Should Get
Ankergeneral

The Best MacBook Pro Docking Station You Should Get

<a href="https://news.google.com/rss/articles/CBMijgFBVV95cUxNYWRELTU0UmZzWEhkWnBlNEhFa05uMEVQdnE5cjF3NndpU2NBeEMybTljSjBqY09jRWpGTkJGUnp1ZGg1RXJmVmY0S0NITnFSaTVNYVVGVkU4cGI1ajgwSVpRZFQzcTFCdjQ5NGZCTlIxZlc5QmZsOXVyVkhoOElpcG1tSFdVUVdqWk81c0ZB?oc=5" target="_blank">The Best MacBook Pro Docking Station You Should Get</a>  <font color="#6f6f6f">Anker</font>

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Blind docking methods have been inappropriately used in most network pharmacology analysis
Frontiersgeneral

Blind docking methods have been inappropriately used in most network pharmacology analysis

<a href="https://news.google.com/rss/articles/CBMilAFBVV95cUxPOGV4Mk5Fc0NDUWpXbzRqd3p0RW1NQWFUZUlldWs3X2MwbS1laWIySS1PZnlGVW16Z0c0TzY5b1A3Unh6Z1duUFIyQ0NDZG05UXFLdWNoSzgzWmFyZjRPMGJ1YnBiZG5vZGw2cGI1c1NEbmd5SEU0S0FSQnFCNzBGQW12RFc3Q3FhWDU0Z0lDcFZ6cnhU?oc=5" target="_blank">Blind docking methods have been inappropriately used in most network pharmacology analysis</a>  <font color="#6f6f6f">Frontiers</font>

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ROG Xbox Ally Gets Major Updates: Better Docking, Auto SR Preview, Unified Library
Tbreak UAEworld

ROG Xbox Ally Gets Major Updates: Better Docking, Auto SR Preview, Unified Library

<a href="https://news.google.com/rss/articles/CBMiaEFVX3lxTE4zcUlJUEw5WGVHejZObnB2R1lzOEkzWXJIREt4ZTVkOGVqWnUwMS1SNXAyWWRNNWpnWk5KWkFHY0tWdHZEYUxrbTYtWEtkalJacG9YZWcyeG1vYVN1eXRlYTZPMHZnTUtw?oc=5" target="_blank">ROG Xbox Ally Gets Major Updates: Better Docking, Auto SR Preview, Unified Library</a>  <font color="#6f6f6f">Tbreak UAE</font>

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Algorithm selection for protein–ligand docking: strategies and analysis on ACE
Naturepolitics

Algorithm selection for protein–ligand docking: strategies and analysis on ACE

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9DTHBIWVFMVFRPV1d5SzZwdFVPTEpxdG5zZ3NwTlpWdnhLc2ZUS0s2OHdQVGVwVlJ0T1lzOGJoVU9WNFJyRk1ZWnZmMlEwSkhTODZ1SjdqM2JDTzRBVEY4?oc=5" target="_blank">Algorithm selection for protein–ligand docking: strategies and analysis on ACE</a>  <font color="#6f6f6f">Nature</font>

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A Review of Current Computational Tools for Peptide–Protein Docking
Wiley Online Librarygeneral

A Review of Current Computational Tools for Peptide–Protein Docking

<a href="https://news.google.com/rss/articles/CBMiakFVX3lxTE9mOWlCalk5eE9jMkxtNkpfRTNJYzM4dDdnNnpoTF9sSVh2dm5UU1JsQllmY21YYzFaYjdWSDA2RF9PV2xhZUNGQXBlVVJqZ2FQUGw4TjZFUmtmMTdwSWtkcVdUYVpqTC1SVGc?oc=5" target="_blank">A Review of Current Computational Tools for Peptide–Protein Docking</a>  <font color="#6f6f6f">Wiley Online Library</font>

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New machine learning and physics-based scoring functions for drug discovery
Natureworld

New machine learning and physics-based scoring functions for drug discovery

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5aVmlyOXNrc09Rc1FFa3BwaHh3SDZjUEVoZ01aa2M1clFnQ0JXVnhtVzRIcWZsenhYUVEzQWFUWG1EeW1vNkJJT1Jyb3pVOXhYMjJpQXpKbVBmTGM2Q1h3?oc=5" target="_blank">New machine learning and physics-based scoring functions for drug discovery</a>  <font color="#6f6f6f">Nature</font>

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Combination of consensus and ensemble docking strategies for the discovery of human dihydroorotate dehydrogenase inhibitors
Naturegeneral

Combination of consensus and ensemble docking strategies for the discovery of human dihydroorotate dehydrogenase inhibitors

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBZUmJ1S3Z6aUQ4QlVLRV9UYVhncG1WWFZiVnJLR0NfRlBab3dNWF9mdkNhbTJuSXFzeEhrTl9HMjJGVXpyX1B6YXk5cWZjWHp0X0dYaExxQmFyZUdCd09v?oc=5" target="_blank">Combination of consensus and ensemble docking strategies for the discovery of human dihydroorotate dehydrogenase inhibitors</a>  <font color="#6f6f6f">Nature</font>

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Improving protein and protein interactions using pseudo-dimers derived from monomeric proteins
Naturegeneral

Improving protein and protein interactions using pseudo-dimers derived from monomeric proteins

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1XVGJSWkpNelk2djloSXRmMjZmRGRyMmZWWW41Q1V5RVJuVzkyVmxOekpObHlQeUNDeGZwcXhJWFd0dlQwNzNES2tVU21OMHZmUDloRU85U3ZSUDRkTHQ4?oc=5" target="_blank">Improving protein and protein interactions using pseudo-dimers derived from monomeric proteins</a>  <font color="#6f6f6f">Nature</font>

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Performance of machine-learning scoring functions in structure-based virtual screening
Natureworld

Performance of machine-learning scoring functions in structure-based virtual screening

<a href="https://news.google.com/rss/articles/CBMiU0FVX3lxTE8tOHVwa09UODEzRi1xZDl4OTJ6X21nT2g0ZFlhRTEwZTcwVE1lMWlyMHQ2MXFTZEVBOU5fWi1GalN0S1hQVDM4bTgyVjhkLVlnR09N?oc=5" target="_blank">Performance of machine-learning scoring functions in structure-based virtual screening</a>  <font color="#6f6f6f">Nature</font>

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"Improving Docking Perform" — Live Google News Trends & Headlines