Results 11 to 20 of about 429,402 (391)
Lipid21: Complex Lipid Membrane Simulations with AMBER
Journal of Chemical Theory and Computation, 2022 We extend the modular AMBER lipid force field to include anionic lipids, polyunsaturated fatty acid (PUFA) lipids, and sphingomyelin, allowing the simulation of realistic cell membrane lipid compositions, including raft-like domains.
Callum J. Dickson, R. Walker, I. Gould
semanticscholar +1 more source
Assessing the Current State of Amber Force Field Modifications for DNA—2023 Edition
Journal of Chemical Theory and Computation, 2023 Advances in molecular dynamics (MD) software alongside enhanced computational power and hardware have allowed for MD simulations to significantly expand our knowledge of biomolecular structure, dynamics, and interactions.
Olivia Love +5 more
semanticscholar +1 more source
A fast and high-quality charge model for the next generation general AMBER force field.
Journal of Chemical Physics, 2020 The General AMBER Force Field (GAFF) has been broadly used by researchers all over the world to perform in silico simulations and modelings on diverse scientific topics, especially in the field of computer-aided drug design whose primary task is to ...
Xibing He +4 more
semanticscholar +1 more source
Fossil Record, 2022 A new lymexylid fossil species, †Raractocetus sverlilo Nazarenko, Perkovsky & Yamamoto, sp. nov., is described from late Eocene Rovno amber of Ukraine.
Shûhei Yamamoto +3 more
semanticscholar +1 more source
Journal of Chemical Theory and Computation, 2015 Proper treatment of nonbonded interactions is essential for the accuracy of molecular dynamics (MD) simulations, especially in studies of lipid bilayers.
Jumin Lee +16 more
semanticscholar +1 more source
Improved side-chain torsion potentials for the Amber ff99SB protein force field
Proteins: Structure, Function, and Bioinformatics, 2010 Recent advances in hardware and software have enabled increasingly long molecular dynamics (MD) simulations of biomolecules, exposing certain limitations in the accuracy of the force fields used for such simulations and spurring efforts to refine these ...
K. Lindorff-Larsen +6 more
semanticscholar +1 more source
Application of confocal laser scanning microscopy to the study of amber bioinclusions
Palaeoentomology, 2021 Confocal laser scanning microscopy is an essential analytical tool in biological, biomedical, and material sciences, integrating microscope manufacturing technology, optical-electronic technology, and computer technology.
YAN-ZHE Fu +4 more
semanticscholar +1 more source
A rule-free workflow for the automated generation of databases from scientific literature
npj Computational Materials, 2023 In recent times, transformer networks have achieved state-of-the-art performance in a wide range of natural language processing tasks. Here we present a workflow based on the fine-tuning of BERT models for different downstream tasks, which results in the
Luke P. J. Gilligan +3 more
doaj +1 more source
Two Different Cretaceous Worlds: Taimyr and Kachin Amber Trichopterofaunas
Zoodiversity, 2022 Polycentropodidae constitute 55.6% of Taimyr amber caddisfly species with known males, and only 4.8% of caddisfly species with known males in Kachin amber.
E. Perkovsky
doaj +1 more source
Regularities of hydromechanical amber extraction from sandy deposits [PDF]
, 2019 Purpose is to analyze the efficiency of hydromechanical amber extraction from sandy deposits relying upon the determined regularities concerning the effect of parameters while carrying out a series of laboratory tests and full-scale experiments. Methods.
Khrystyuk, A +5 more
core +1 more source