Flexible CDOCKER: Hybrid Searching Algorithm and Scoring Function with Side Chain Conformational Entropy حسب Yujin Wu (2901128)

"…Here, we propose a new physics-based scoring function that includes both enthalpic and entropic contributions upon binding by considering the conformational variability of the flexible side chains within the ensemble of docked poses. …"

Flexible CDOCKER: Hybrid Searching Algorithm and Scoring Function with Side Chain Conformational Entropy حسب Yujin Wu (2901128)

"…Here, we propose a new physics-based scoring function that includes both enthalpic and entropic contributions upon binding by considering the conformational variability of the flexible side chains within the ensemble of docked poses. …"

Pipeline of the interactor algorithm. حسب Jose Cleydson F. Silva (8685594)

Results of the application of different clustering algorithms to average functional connectivity from healthy subjects. حسب Francisco Páscoa dos Santos (16510676)

"…<p>A) Resulting cluster inertia from applying the k-means algorithm described in the methods to empirical averaged functional connectivity from healthy subjects, with different numbers of clusters. …"

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

الموضوعات:

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)

Pseudocode of the RPath algorithm. حسب Daniel Domingo-Fernández (5432273)

"…., <i>lmax)</i>, the core function of the algorithm, <i>is_drug_prioritized</i>, returns whether a drug should be prioritized or not. …"

Rosetta energy functions for membrane proteins cannot identify the inward-facing conformation of PfMATE. حسب Diego del Alamo (9925083)

Listed python codes of our algorithm with explanations (Python 3.9 recommended). حسب Takayuki Niizato (162226)

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)

Demand side management system. حسب Manoj Kumar V. (18196645)

الموضوعات:

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

Rare variants in <i>SMYD1</i> and <i>BMP10</i> identified in family 346 are functionally damaging. حسب David M. Gordon (3259002)

الموضوعات:

MEDOC: A Fast, Scalable, and Mathematically Exact Algorithm for the Site-Specific Prediction of the Protonation Degree in Large Disordered Proteins حسب Martin J. Fossat (3714079)

الموضوعات: "…mathematically exact algorithm…"

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). …"

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

"…</li></ul><p dir="ltr">The scripts rely on the following Python packages. Where available, repository links are provided:</p><ol><li><b>NumPy</b>, version 1.22.1</li><li><b>SciPy</b>, version 1.7.3</li><li><b>PyGAD</b>, version 3.0.1 — https://pygad.readthedocs.io/en/latest/#</li><li><b>bees-algorithm</b>, version 1.0.2 — https://pypi.org/project/bees-algorithm</li><li><b>KrakenOS</b>, version 1.0.0.19 — https://github.com/Garchupiter/Kraken-Optical-Simulator</li><li><b>matplotlib</b>, version 3.5.2</li></ol><p dir="ltr">All scripts are modular and organized to reflect the design stages described in the manuscript.…"

The half triangular membership function (Right-hand side). حسب Thanasan Intarakumthornchai (9606684)

The half triangular membership function (Left-hand side). حسب Thanasan Intarakumthornchai (9606684)

The CASZ1 p.R25C variant in family 16 causes mislocalization of the protein and reduced transcriptional transactivation. حسب David M. Gordon (3259002)

الموضوعات: