Heart Defects, CongenitalInflammationPostoperative ComplicationsEdemaHistamineBradykininInflammation MediatorsCardiopulmonary BypassMolecular BiologyNot Availabledoi:10.1007/BF00753955K.V.BozhenkoO.P.CharkinKluwer Academic Publishers-Plenum PublishersJournal of Structural Chemistry...
Atomic and molecular interactions with photons is the study of the way in which the basic elements of matter interact with packets of electromagnetic energy. This interaction is determined largely by the electronic structure of atoms and molecules; photon absorption or emission is associated with an ...
Experiments in the ultracold regime allow the possibility of associating fermionic/bosonic atoms into molecules by sweeping through a magnetic field. Here, the authors show that the presence and strength of interactions between the constituent atoms and molecules can create distinct and novel dynamical ...
atoms [第二批原子序号][原子规则]end atoms ...end structure 原子规则的设置语法、关键词和分子规则...
there is no movement in the absence of fuel consumption. In contrast, in a molecular motor, the atoms are constantly moving due to Brownian motion; thus, the consumption of fuel (e.g., thehydrolysisof ATP) might not directly drive a molecular motor, but rather provide directionality, such ...
atoms on the other side of the model, the model’s teaching potential is enhanced. The user is able to clearly see the nature and type of atoms that make up the structure through the whole structure, along with the the manner in which the atoms are joined together to form the shapes ...
python scripts/train.py <model name> \ --train_load <train dataset> \ --model_save <path to model> \ --config_save <path to config> \ --vocab_save <path to vocabulary>To get a list of supported models run python scripts/train.py --help....
此工具在J. Chem. Inf. Model., 50, 2221 (2010)被曝光往往不能正确指认charge group，导致原子电荷...
To take into account structural information beyond atoms and bonds, groups can be defined. A group is a combination of atoms and other groups that can (for example) represent a residue, a secondary structure, or an α-chain. The groups are organized into levels, such as the level of resid...
The Lennard-Jones parameters in the above example are defined in theip.parms.LJ.xmlfile undershare/Parameters(ensure the path to this file is correct). The format of the atomic configuration is given inExtended XYZformat, in which the first line is the number of atoms, the second line is...