Results 201 to 210 of about 1,931,218 (266)

A diffusion-based framework for designing molecules in flexible protein pockets. [PDF]

Sci Adv
Wang J, Zhang DY, Budakoti S, Dokholyan NV.   +3 more
europepmc   +1 more source

Prediction of gas chromatographic retention times of narcotic and hazardous drugs in blood using QSRR and machine learning models. [PDF]

RSC Adv
Shuheil MA, Aldulaimi A, Ray S, Qassem TA, Garg G, Sharma R, Urazbaeva D, Sadikova S, Safamanesh M.   +8 more
europepmc   +1 more source

Mol* web molecular graphics engine. [PDF]

Protein Sci
Rose AS, Tomasello G, Kovács ÁS, Autin L, Sehnal D.   +4 more
europepmc   +1 more source

Machine Learning Prediction of Transthyretin Binding for Thyroid Hormone Transport Disruption for Chemical Risk Assessment. [PDF]

Toxics
Hou S, Ji C, Reh CM, Ruiz P.
europepmc   +1 more source

Some of the next articles are maybe not open access.

Related searches:

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

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