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ANI/EFP: Modeling Long-Range Interactions in ANI Neural Network with Effective Fragment Potentials

Journal of Chemical Theory and Computation
Deep learning Neural Networks (NN) have been developed in the field of molecular modeling for the purpose of circumventing the high computational cost of quantum-mechanical calculations while rivaling their accuracies. Although these networks have found great success, they generally lack the ability to accurately describe long-range interactions, which
Shahed Haghiri   +4 more
openaire   +2 more sources

Effects of nucleon-nucleon short-range correlation on fragment generation in isotopic nuclear reactions*

Chinese Physics C
Abstract The effects of nucleon-nucleon short-range correlations leading to the high-momentum tail (HMT) in the nucleon momentum distribution are studied using the isospin- and momentum-dependent Lanzhou quantum molecular dynamics (LQMD) transport model.
Ya-Fei 亚飞 Guo 郭   +4 more
openaire   +1 more source

Habitat Fragmentation Effects Depend on Complex Interactions Between Population Size and Dispersal Ability: Modeling Influences of Roads, Agriculture and Residential Development Across a Range of Life-History Characteristics

2010
Habitat loss and fragmentation are widely believed to be the most important drivers of extinction (Leakey and Lewin 1995). The habitats in which organisms live are spatially structured at a number of scales, and these patterns interact with organism perception and behavior to drive population dynamics and community structure (Johnson et al.
Samuel A. Cushman   +2 more
openaire   +1 more source

Effect of screw placement order on range of proximal tibial fragment rotation adjustment and osteotomy gap formation when using manual reduction during tibial plateau levelling osteotomy (TPLO)

Australian Veterinary Journal
AimTo determine the optimal first proximal screw position which permits proximal tibial fragment rotation adjustment while minimising osteotomy gap formation when a manual reduction technique is used for TPLO in dogs.MethodsTPLOs were performed on bone models using Synthes 3.5‐mm TPLO implants with a jig but without the use of an anti‐rotational pin ...
LYC Tay, SR Snelling
openaire   +2 more sources

Effect of Amino Acid Fragments in Tetraphenylporphin Derivatives on the pH Range of Porphyrin Dications Dominance

Russian Journal of General Chemistry, 2023
Yu. B. Ivanova   +4 more
openaire   +1 more source

The evolving landscape of salivary gland tumors

Ca-A Cancer Journal for Clinicians, 2023
Conor Steuer
exaly  

Direct observation of chemical short-range order in a medium-entropy alloy

Nature, 2021
Xuefei Chen, Qi Wang, Zhiying Cheng
exaly  

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