Results 41 to 50 of about 103,985 (285)
Journal of Cheminformatics, 2021 Many contemporary cheminformatics methods, including computer-aided de novo drug design, hold promise to significantly accelerate and reduce the cost of drug discovery.
M. Sicho +3 more
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Integrating synthetic accessibility with AI-based generative drug design
Journal of Cheminformatics, 2023 Generative models are frequently used for de novo design in drug discovery projects to propose new molecules. However, the question of whether or not the generated molecules can be synthesized is not systematically taken into account during generation ...
Maud Parrot +7 more
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Stochastic model for cell polarity
, 2012 Cell polarity refers to the spatial asymmetry of molecules on the cell membrane. Altschuler, Angenent, Wang and Wu have proposed a stochastic model for studying the emergence of polarity in the presence of feedback between molecules.
Gupta, Ankit
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Rapid determination of apolipoprotein E genotype using a heteroduplex generator
Journal of Lipid Research, 1999 The apoE gene exhibits two common polymorphisms that have been associated with both coronary artery disease and Alzheimer's disease. The polymorphisms create the three allelic isoforms E2, E3, and E4 which are encoded by Cys–Cys, Cys–Arg, and Arg–Arg at ...
M.K. Bolla, N. Wood, S.E. Humphries
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Atoms, 2020 A model for the description of proton collisions from molecules composed of atoms such as hydrogen, carbon, nitrogen, oxygen and phosphorus (H, C, N, O, P) was recently extended to treat collisions with multiply charged ions with a focus on net ...
Hans Jürgen Lüdde +3 more
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The octet rule in chemical space: Generating virtual molecules
, 2017 We present a generator of virtual molecules that selects valid chemistry on the basis of the octet rule. Also, we introduce a mesomer group key that allows a fast detection of duplicates in the generated structures. Compared to existing approaches, our
Hamaekers, Jan +2 more
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Spectrum Generating Algebra for X$_{3}$ Molecules
Physical review. A, Atomic, molecular, and optical physics, 1995 15 pages, to appear in Physical Review ...
Bijker, R. +2 more
openaire +3 more sources
Efficiency of Energy Transduction in a Molecular Chemical Engine
, 2006 A simple model of the two-state ratchet type is proposed for molecular chemical engines that convert chemical free energy into mechanical work and vice versa. The engine works by catalyzing a chemical reaction and turning a rotor.
Alberts B. +31 more
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Metode Reversible Self-Dual untuk Konstruksi Kode DNA atas Lapangan Hingga GF(4)
Jambura Journal of Mathematics, 2022 The DNA molecule chain consists of two complementary strands composed of a sequence of four nucleotide bases, namely adenine (A), cytosine (C), guanine (G) and thymine (T).
Juli Loisiana Butar-Butar +1 more
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, 2011 In this work we monitor the catalytic mechanism of P-glycoprotein (Pgp) using single-molecule fluorescence resonance energy transfer (FRET). Pgp, a member of the ATP binding cassette family of transport proteins, is found in the plasma membrane of animal
Boersch, Michael +4 more
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