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

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Radius of gyration (RG) of the backbone atoms of the protein as a function of time. by L. F. S. Bonet (11502082)

Solvent-accessible surface area (SASA) of the protein as a function of time. by L. F. S. Bonet (11502082)

Root mean square deviation (RMSD) of the backbone atoms of the protein as a function of time. by L. F. S. Bonet (11502082)

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

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

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Performance of the greedy approximation algorithm. by Virgile Andreani (17087764)

Subjects: “…unlike approximation algorithms…”

Cell synthesis protein. by Qi Song (121209)

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Average prediction time in seconds for 1000 sequences. by Seyyede Fatemeh Seyyedsalehi (10196767)

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Python implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements by Pascal Wang (10130612)

“…In `main.py`, the parameters for the TAMS algorithm are specified (trajectory time, time step, score function, number of particles, type of score threshold, maximum number of iterations, noise level etc.). …”

Depiction of how the label of is assigned as a function of whether are identical (row =), nested (rows ), or partially overlapping (row “else”), and as a function of the labels of... by Jordan Moutet (21800145)

Genetic Algorithm for Automated Parameterization of Network Hamiltonian Models of Amyloid Fibril Formation by Gianmarc Grazioli (6752297)

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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... by Giacomo Janson (8138517)

Our algorithms process large data sets within a minute. by Manu Aggarwal (15990691)

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

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

PATH has state-of-the-art performance versus previous binding affinity prediction algorithms. by Yuxi Long (11024307)

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

Two protein-ligand complexes shown with their persistence fingerprint. by Yuxi Long (11024307)

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A Chemoproteomic Approach for System-Wide and Site-Specific Uncovering of Functional Protein N‑Glycosylation by Guoli Wang (59357)

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