A Python Package for the Localization of Protein Modifications in Mass Spectrometry Data حسب Anthony S. Barente (14035175)

الموضوعات:

Adaptive H-REMD simulation algorithm. حسب Danial Pourjafar-Dehkordi (7165523)

The optimal solution set of NYN by using different algorithms. حسب Yi Tao (178829)

الموضوعات: "…evolutionary genetic algorithm…"

The optimal solution set of HN by using different algorithms. حسب Yi Tao (178829)

الموضوعات: "…evolutionary genetic algorithm…"

EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit حسب Gonzalo Colmenarejo (650249)

"…Functional groups are widely used in organic chemistry, because they provide a rationale to analyze physicochemical and reactivity properties. …"

<b>Opti2Phase</b>: Python scripts for two-stage focal reducer حسب Morgan Najera (21540776)

"…<p dir="ltr"><b>Opti2Phase: Python Scripts for Two-Stage Focal Reducer Design</b></p><p dir="ltr">The folder <b>Opti2Phase</b> contains the Python scripts used to generate the results presented in the manuscript. …"

Average quality scores of the models of the analysis set as a function of the <i>w</i>_<i>SP</i> with which the DOPE potential has been included in the objective function... حسب Giacomo Janson (8138517)

Verification of the in-line PS function. حسب Raul Castañeda (13932971)

Available functions in the utility package. حسب Raul Castañeda (13932971)

Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results حسب Se-Hee Jo (20554623)

"…This algorithm conducts a series of procedures: (1) fragmentation of the molecules into functional groups from SMILES, (2) calculation of activity coefficients under predetermined temperature and mole fraction conditions by employing universal quasi-chemical functional group activity coefficient (UNIFAC) model, and (3) regression of NRTL model parameters by employing UNIFAC model simulation results in the differential evolution algorithm (DEA) and Nelder–Mead method (NMM). …"

Available functions in the phase-shifting package. حسب Raul Castañeda (13932971)

Available functions in the numerical propagation package. حسب Raul Castañeda (13932971)

Available functions in the phase reconstruction package. حسب Raul Castañeda (13932971)

Python-based Monte Carlo Simulation Tool حسب Yangfan Jiang (9372782)

Python scripts used to model CPU errors by Poisson distribution density mass function and to draw graph of Poisson events (needs Matplot, SciPy, PysimpleGUI and NumPy) حسب Santhosh Kumar Rajamani (13023678)

Discovery of Protein Modifications Using Differential Tandem Mass Spectrometry Proteomics حسب Paolo Cifani (1575613)

"…Termed SAMPEI for spectral alignment-based modified peptide identification, this open-source algorithm is designed for the discovery of functional protein and peptide signaling modifications, without prior knowledge of their identities. …"

Discovery of Protein Modifications Using Differential Tandem Mass Spectrometry Proteomics حسب Paolo Cifani (1575613)

"…Termed SAMPEI for spectral alignment-based modified peptide identification, this open-source algorithm is designed for the discovery of functional protein and peptide signaling modifications, without prior knowledge of their identities. …"

3D modeling qualities of the AS single-template models built by including DOPE in the objective function of MODELLER. حسب Giacomo Janson (8138517)

3D modeling qualities of the AM multiple-template models built by including DOPE in the objective function of MODELLER. حسب Giacomo Janson (8138517)

Example of the CNF function for off-axis DHM holograms recorded in a non-telecentric configuration. حسب Raul Castañeda (13932971)