Results 41 to 50 of about 27,951,681 (317)
Conditional molecular design with deep generative models [PDF]
Journal of Chemical Information and Modeling, 2018 Although machine learning has been successfully used to propose novel molecules that satisfy desired properties, it is still challenging to explore a large chemical space efficiently.
Seokho Kang, Kyunghyun Cho
semanticscholar +1 more source
Extended master equation models for molecular communication networks
, 2013 We consider molecular communication networks consisting of transmitters and receivers distributed in a fluidic medium. In such networks, a transmitter sends one or more signalling molecules, which are diffused over the medium, to the receiver to realise ...
Chou, Chun Tung
core +1 more source
Interstellar Turbulence and Star Formation [PDF]
, 2010 We provide a brief overview of recent advances and outstanding issues in simulations of interstellar turbulence, including isothermal models for interior structure of molecular clouds and larger-scale multiphase models designed to simulate the formation ...
Alexei G. Kritsuk +19 more
core +1 more source
High energy hadron production Monte Carlos [PDF]
, 2006 We discuss here Quantum molecular dynamics models (QMD) and Dual Parton Models (DPM and QGSM). We compare RHIC data to DPM--models and we present a (Cosmic ray oriented) model comparison.Comment: 10 pages, 7 figures, presented at Hadronic Shower ...
Ranft, J.
core +2 more sources
Journal of Chemical Theory and Computation, 2015 Nanodiscs are discoloidal protein-lipid particles that self-assemble from a mixture of lipids and membrane scaffold proteins. They form a highly soluble membrane mimetic that closely resembles a native-like lipid environment, unlike micelles. Nanodiscs are widely used for experimental studies of membrane proteins.
Iwona, Siuda, D Peter, Tieleman
openaire +2 more sources
Bio-Protocol, 2023 The CRISPR/Cas9 system is a powerful tool for gene repair that holds great potential for gene therapy to cure monogenic diseases. Despite intensive improvement, the safety of this system remains a major clinical concern.
Ngoc Tung Tran +5 more
doaj +1 more source
Transferable atomic multipole machine learning models for small organic molecules [PDF]
, 2015 Accurate representation of the molecular electrostatic potential, which is often expanded in distributed multipole moments, is crucial for an efficient evaluation of intermolecular interactions.
Andrienko, Denis +2 more
core +4 more sources
Hybrid theoretical models for molecular nanoplasmonics.
Journal of Chemical Physics, 2020 The multidisciplinary nature of the research in molecular nanoplasmonics, i.e., the use of plasmonic nanostructures to enhance, control, or suppress properties of molecules interacting with light, led to contributions from different theory communities ...
E. Coccia +5 more
semanticscholar +1 more source
Journal of Translational Medicine, 2023 Background Glioblastoma (GBM) is recognized as among the most aggressive forms of brain tumor. Patients typically present with a five-year survival rate of less than 6% with traditional surgery and chemoradiotherapy, which calls for novel immunotherapies
Shijie Wang +6 more
doaj +1 more source
Molecular-orbital representation of generic flat-band models
, 2019 We develop a framework to describe a wide class of flat-band models, with and without a translational symmetry, by using "molecular orbitals" introduced in the prior work (HATSUGAI Y. and MARUYAMA I., \textit{EPL}, \textbf{95}, (2011) 20003).
Hatsugai, Yasuhiro, Mizoguchi, Tomonari
core +1 more source