Results 251 to 260 of about 2,144,277 (316)

Computer Vision for Predicting the Efficacy of Neoadjuvant Therapy in Breast Cancer. [PDF]

Cancers (Basel)
Sitnikova D, Fayzullin A, Chistov F, Timashev P, Savelov N.   +4 more
europepmc   +1 more source

HKD-CPI: high-order knowledge distillation enhanced inductive compound-protein interaction prediction. [PDF]

Bioinformatics
He Z, Liu X, Jiang Y, Xu J, Lin Y, Jin S, Wei L, Wang Y.   +7 more
europepmc   +1 more source

End-to-end molecular structure elucidation from multimodal NMR spectra images using vision transformers. [PDF]

Chem Sci
Han C, Pan X, Zhang Y.
europepmc   +1 more source

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Molecular Modelling

Molecular BioSystems, 2006
This is chapter 3 of the book Structure Based Drug Discovery (Edited by Roderick E. Hubbard) which forms part of the RSC Biomolecular Sciences series. More information about this book and the whole series is available from www.rsc.org/biomolecularsciences, email: or the RSC Sales team(sales@rsc.org).
Xavier, Barril, Robert, Soliva
openaire   +3 more sources

Lipophilicity in Molecular Modeling

Pharmaceutical Research, 1996
The molecular lipophilicity potential (MLP) offers a three-dimensional representation of lipophilicity, a molecular property encoding intermolecular recognition and intramolecular interactions.The interest and applications of the MLP in molecular modeling are varied, as illustrated here.The MLP is a major tool to assess the dependence of lipophilicity ...
Testa, Bernard, Carrupt, Pierre-Alain, Gaillard, Patrick, Billois, F., Weber, P.   +4 more
openaire   +3 more sources

Molecular modelling and molecular dynamics of CFTR

Cellular and Molecular Life Sciences, 2016
The cystic fibrosis transmembrane conductance regulator (CFTR) protein is a member of the ATP-binding cassette (ABC) transporter superfamily that functions as an ATP-gated channel. Considerable progress has been made over the last years in the understanding of the molecular basis of the CFTR functions, as well as dysfunctions causing the common genetic
Isabelle, Callebaut, Brice, Hoffmann, Pierre, Lehn, Jean-Paul, Mornon   +3 more
openaire   +2 more sources

Molecular modelling of entanglement

Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences, 2003
The modelling of molecular entanglement in polymeric materials is an old problem, and has evolved gradually over the last 60 years, with two key approaches: the network model of Green & Tobolsky, and the tube model of Edwards and de Gennes. We will show that these models can be merged together in a straightforward manner.
Masao, Doi, Jun-ichi, Takimoto
openaire   +2 more sources