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

Overall eVIP2 outputs for <i>ARAF</i> variants using only L1000 genes. by Alexis M. Thornton (11068403)

The optimal contact/quarantine rates from the family of functions (4) and (5) for Xi’an, Guangzhou and Yangzhou. by Mengqi He (5753525)

Subjects:

Confusion matrices depict the performance of various ML algorithms. by Caroline L. Alves (14271413)

libEnsemble: New capabilities for coordinating dynamic ensembles of calculations by John-Luke Navarro (9024008)

A detailed process of iterative simulation coupled with bone density algorithm; (a) a function of stimulus and related bone density changes, and (b) iterative calculations of finit... by Hassan Mehboob (8960273)

ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space by Koushik Naskar (7510592)

“…In order to overcome such shortcoming, we develop a generalized algorithm, “ADT” to generate the nonadiabatic equations through symbolic manipulation and to construct highly accurate diabatic surfaces for molecular processes involving excited electronic states. …”

Gillespie algorithm simulation parameters. by Nicholas H. Vitale (20469289)

“…<div><p>We present a model for the noise and inherent stochasticity of fluorescence signals in both continuous wave (CW) and time-gated (TG) conditions. When the fluorophores are subjected to an arbitrary excitation photon flux, we apply the model and compute the evolution of the probability mass function (pmf) for each quantum state comprising a fluorophore’s electronic structure, and hence the dynamics of the resulting emission photon flux. …”

Tapping on the Black Box: How Is the Scoring Power of a Machine-Learning Scoring Function Dependent on the Training Set? by Minyi Su (1425976)

Subjects:

Subnetwork clusters of identified targets for TFDM against CIRI obtained using MCODE algorithm. by Xu Hu (23350)

The constructed disease functional similarity score matrix. by Lei Li (29537)

Results of the application of different clustering algorithms to average functional connectivity from healthy subjects. by 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. …”

PathOlOgics_RBCs Python Scripts.zip by Ahmed Elsafty (16943883)

Multimodal reference functions. by Ruiyu Zhan (21602031)

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

Adaptive grid based moving mesh algorithms for singularly perturbed second-order Volterra integro differential equations by Sushree Priyadarshana (21752424)

Visualization of the RITSS algorithm. by Julian Hecker (758791)

The constructed miRNA functional similarity score matrix. by Lei Li (29537)

Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses by Dominykas Lukauskis (14143149)

“…OpenBPMD is powered by the OpenMM simulation engine and uses a revised scoring function. The algorithm was validated by testing it on a wide range of targets and showing that it matches or exceeds the performance of the original BPMD. …”

Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses by Dominykas Lukauskis (14143149)

“…OpenBPMD is powered by the OpenMM simulation engine and uses a revised scoring function. The algorithm was validated by testing it on a wide range of targets and showing that it matches or exceeds the performance of the original BPMD. …”