graphical processing units (gpus) (Molecular Dynamics Inc)
90
Structured Review
Molecular Dynamics Inc
graphical processing units (gpus)
Graphical Processing Units (Gpus), supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/graphical+processing+unit+(gpu)/graphical+processing+units++gpus+/pm40028910-379-24-18
Average 90 stars, based on 1 article reviews
Graphical Processing Units (Gpus), supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/graphical+processing+unit+(gpu)/graphical+processing+units++gpus+/pm40028910-379-24-18
Average 90 stars, based on 1 article reviews
graphical processing units (gpus) - by Bioz Stars,
2026-09
90/100 stars
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other:Article Title: Structure-based identification of novel inhibitors targeting the enoyl-ACP reductase enzyme of Acinetobacter baumannii Article Snippet: Graphics Processing Unit (GPU) accelerated version of Article Title: Strategic Design of Fluorescent Perylene-Modified Nucleic Acid Monomers: Position-, Phosphorylation-, and Linker-Dependent Control of Electron Transfer. Article Snippet: Synthetic fluorescent nucleotides (SFNs) have a wide variety of applications in biochemical tracking, imaging, and diagnostic assays.. There are many SFNs in active development to enhance their fluorescence wavelengths, environmental sensitivity, photostability, and photochemical/ photoswitchable properties.. However, there are few systematic theoretical studies of their fluorescence properties. Article Title: Pharmacophore-based virtual screening and in-silico study of natural products as potential DENV-2 RdRp inhibitors. Article Snippet: Dengue fever is a significant public health concern throughout the world, causing an estimated 500,000 hospitalizations and 20,000 deaths each year, despite the lack of effective therapies.. The DENV-2 RdRp has been identified as a potential target for the development of new and effective dengue therapies.. This research’s primary objective was to discover an anti-DENV inhibitor using in silico ligandand structure-based approaches. Article Title: Design and Discovery of New Collagen V-Derived FGF2-Blocking Natural Peptides Inhibiting Lung Squamous Cell Carcinoma In Vitro and In Vi vo . Article Snippet: Aberrant FGF2/FGFR signaling is implicated in lung squamous cell carcinoma (LSCC), posing treatment challenges due to the lack of targeted therapeutic options.. Designing drugs that block FGF2 signaling presents a promising strategy different from traditional kinase inhibitors.. We previously reported a ColVα1-derived fragment, HEPV (127AA), that inhibits FGF2-induced angiogenesis. Article Title: Acceleration of Diffusion in Ab Initio Nanoreactor Molecular Dynamics and Application to Hydrogen Sulfide Oxidation. Article Snippet: The computational description of chemical reactivity can become extremely complex when multiple different reaction products and intermediates come into play, forming a chemical reaction network.. Therefore, computational methods for the automated construction of chemical reaction networks have been developed in the last decades.. One of these methods, ab initio nanoreactor molecular dynamics (NMD), is based on external forces enhancing reactivity by e.g., periodically compressing the system and allowing it to relax. Article Title: Tuning the Quantum Chemical Properties of Flavins via Modification at C8. Article Snippet: Flavins are central to countless enzymes but display different reactivities depending on their environments.. This is understood to reflect modulation of the flavin electronic structure.. To understand changes in orbital natures, energies, and correlation over the ring system, we begin by comparing seven flavin variants differing at C8, exploiting their different electronic spectra to validate quantum chemical calculations. Software:Article Title: Computational studies of the properties and activities of selected trisubstituted benzimidazoles as potential antitubercular drugs inhibiting MTB-FtsZ polymerization. Article Snippet: Trisubstituted benzimidazoles (trisbenz) are significantly active against nonreplicating Mycobacterium tuberculosis (MTB) by inhibiting the polymerization of Filamentous Temperature Sensitive Mutant Z (FtsZ), an essential bacteria cell division protein.. In-depth in-silico study of 5 of the most active trisubstituted benzimidazoles; trisbenz 1, 2, 3, 4 and 5, giving insight into their properties, such as stability, bioavailability, interactions with residues at the binding site of MTB-FtsZ and their influence on structural dynamics of the protein have been conducted.. This was achieved through the application of insilico methods including density functional theory (DFT) calculations, ADME properties calculations, molecular docking and molecular dynamics simulations. |
