https://www.preprints.org/manuscript/202506.1158
Synthesis, Crystal Structures and Molecular Modeling of 13-Methoxy Derivatives of Sesquiterpene...
Data on the synthesis of new derivatives of 13-methoxy sesquiterpene lactone from the guiana series, including ludartin and arglabin, are presented. The...
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scientific article published on 01 July 1996
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Molecular Modeling and Synthesis of New Heterocyclic Compounds Containing Pyrazole as Anticancer...
Discover promising tubulin inhibitors in our study on newly synthesized heterocyclic derivatives of Combretastatin A-4 (CA-4). Compounds 5b, 15, 16, and 17...
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Molecular Modeling Market Size, Growth, Trends & Demand Report by 2033
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GLYCAM-Web | Utilities for molecular modeling of carbohydrates
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Frontiers | Molecular Modeling in Drug Repurposing
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Molecular Modeling Using HPC and Gaussian: Density-Functional Theory and Noncovalent Interactions. Gino A. DiLabio National Institute for Nanotechnology 11421...
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Molecular modeling and in vitro activity of an HIV-1-encoded glutathione peroxidase - PMC
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Integrative modeling reveals the molecular architecture of the intraflagellar transport A (IFT-A)...
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Integrative modeling reveals the molecular architecture of the intraflagellar transport A (IFT-A)...
The 3D structure of the six-subunit complex and its polymeric assembly gives insights into cargo transport in cilia and how specific mutations in these genes...
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4th SIMPLAIX Workshop on Machine Learning for Multiscale Molecular Modeling
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Molecular Modeling and In Vitro Evaluation of Piplartine Analogs against Oral Squamous Cell...
Cancer is a principal cause of death in the world, and providing a better quality of life and reducing mortality through effective pharmacological treatment...
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Modeling Molecular Sequences with Learning-Order Autoregressive Models | OpenReview
Text-based autoregressive models (ARMs) are popular for SMILES (Simplified Molecular Input Line Entry System) string generation due to their simplicity and...
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Molecular Modeling of the Kinetic Isotope Effect for the [1,5]-Sigmatropic Rearrangement of cis-1,...
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Homology modeling, molecular dynamics, and virtual screening of NorA efflux pump inhibitors of...
Emerging drug resistance in clinical isolates of Staphylococcus aureus might be implicated to the overexpression of NorA efflux pump which is capable of...
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David Kofke receives prestigious honor for contributions in molecular modeling - Office of the...
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Heuristic Barycenter Modeling of Fully Absorbing Receivers in Diffusive Molecular Communication...
Apr 26, 2023 - 04/26/23 - In a recent paper it has been shown that to model a diffusive molecular communication (MC) channel with multiple fully absorbing (...
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[1906.11081] Molecular Property Prediction: A Multilevel Quantum Interactions Modeling Perspective
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Graph Fourier Neural ODEs: Modeling Spatial-temporal Multi-scales in Molecular Dynamics | OpenReview
Accurately predicting long-horizon molecular dynamics (MD) trajectories remains a significant challenge, as existing deep learning methods often struggle to...
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Sequence modeling and design from molecular to genome scale with Evo - PMC
The fundamental instructions of life are encoded in the DNA sequences of all living organisms. Understanding these instructions could unlock deeper insights...
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https://www.preprints.org/manuscript/202409.0437
Application of Molecular Modeling and Machine Learning Models to Predict Novel FmlH-Binding...
Urinary tract infections (UTIs) affect nearly 50% of women in their lifetime. Uropathogenic Escherichia coli (UPEC) expresses F9/Fml pili tipped with protein...
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