Results 1 to 10 of about 456,192 (265)

EARTHMOVER-BASED MANIFOLD LEARNING FOR ANALYZING MOLECULAR CONFORMATION SPACES. [PDF]

Proc IEEE Int Symp Biomed Imaging, 2020
Zelesko N, Moscovich A, Kileel J, Singer A.   +3 more
europepmc   +1 more source

EC-Conf: A ultra-fast diffusion model for molecular conformation generation with equivariant consistency. [PDF]

J Cheminform
Fan Z, Yang Y, Xu M, Chen H.
europepmc   +1 more source

COSMIC: Molecular Conformation Space Modeling in Internal Coordinates with an Adversarial Framework. [PDF]

J Chem Inf Model
Kuznetsov M, Ryabov F, Schutski R, Shayakhmetov R, Lin YC, Aliper A, Polykovskiy D.   +6 more
europepmc   +1 more source

Structural characterisation of molecular conformation and the incorporation of adatoms in an on-surface Ullmann-type reaction. [PDF]

Commun Chem, 2020
Judd CJ, Junqueira FLQ, Haddow SL, Champness NR, Duncan DA, Jones RG, Saywell A.   +6 more
europepmc   +1 more source

Octaethyl vs Tetrabenzo Functionalized Ru Porphyrins on Ag(111): Molecular Conformation, Self-Assembly and Electronic Structure. [PDF]

J Phys Chem C Nanomater Interfaces
Meier D, Knecht P, Vezzoni Vicente P, Eratam F, Xu H, Lee TL, Generalov A, Riss A, Yang B, Allegretti F, Feulner P, Reichert J, Barth JV, Seitsonen AP, Duncan DA, Papageorgiou AC.   +15 more
europepmc   +1 more source

Altering the inhibitory kinetics and molecular conformation of maltase by Tangzhiqing (TZQ), a natural α-glucosidase inhibitor. [PDF]

BMC Complement Med Ther, 2020
Li Y, Zhang X, Wang R, Han L, Huang W, Shi H, Wang B, Li Z, Zou S.   +8 more
europepmc   +1 more source

Gram matrix: an efficient representation of molecular conformation and learning objective for molecular pretraining. [PDF]

Brief Bioinform
Xiang W, Zhong F, Ni L, Zheng M, Li X, Shi Q, Wang D.   +6 more
europepmc   +1 more source

Hyperconjugation-controlled molecular conformation weakens lithium-ion solvation and stabilizes lithium metal anodes. [PDF]

Chem Sci
Chen Y, Liao SL, Gong H, Zhang Z, Huang Z, Kim SC, Zhang E, Lyu H, Yu W, Lin Y, Sayavong P, Cui Y, Qin J, Bao Z.   +13 more
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Effects of Soy Protein Isolate and Inulin Conjugate on Gel Properties and Molecular Conformation of Spanish Mackerel Myofibrillar Protein. [PDF]

Foods
Wang W, Ma S, Shao Q, Yi S.
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Design, Synthesis, and Temperature-Driven Molecular Conformation-Dependent Delayed Fluorescence Characteristics of Dianthrylboron-Based Donor-Acceptor Systems. [PDF]

Front Chem, 2020
Pandey UP, Nandi RP, Thilagar P.
europepmc   +1 more source