fconv: Format conversion, manipulation and feature computation of molecular data.

fconv: Format conversion, manipulation and feature computation of molecular data.

Item
http://www.wikidata.org/entity/Q33824920
Experimental and computational active site mapping as a starting point to fragment-based lead discoveryWater makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand bindingRational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (ACP) Reductase InhibitorElectrostatic similarities between protein and small molecule ligands facilitate the design of protein-protein interaction inhibitorsSlow-Onset Inhibition of Mycobacterium tuberculosis InhA: Revealing Molecular Determinants of Residence Time by MD SimulationsPyGOLD: A python based API for docking based virtual screening workflow generation.Novel type II fatty acid biosynthesis (FAS II) inhibitors as multistage antimalarial agentsPredicting binding poses and affinities for protein - ligand complexes in the 2015 D3R Grand Challenge using a physical model with a statistical parameter estimation.Identification of potential trypanothione reductase inhibitors among commercially available [Formula: see text]-carboline derivatives using chemical space, lead-like and drug-like filters, pharmacophore models and molecular docking.When theory meets experiment: the PD-1 challenge.Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization.A novel interaction fingerprint derived from per atom score contributions: exhaustive evaluation of interaction fingerprint performance in docking based virtual screening.
P2860

fconv: Format conversion, manipulation and feature computation of molecular data.

Item
http://www.wikidata.org/entity/Q33824920
description
2011 nî lūn-bûn
@nan
2011 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի փետրվարին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
fconv: Format conversion, manipulation and feature computation of molecular data.
@ast
fconv: Format conversion, manipulation and feature computation of molecular data.
@en
type
label
fconv: Format conversion, manipulation and feature computation of molecular data.
@ast
fconv: Format conversion, manipulation and feature computation of molecular data.
@en
prefLabel
fconv: Format conversion, manipulation and feature computation of molecular data.
@ast
fconv: Format conversion, manipulation and feature computation of molecular data.
@en
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P5875
P698
P356
P1433
P1476
fconv: Format conversion, manipulation and feature computation of molecular data.
@en
P2093
P2860
P304
P31
P356
10.1093/BIOINFORMATICS/BTR055
P407
P433
P478
P577
P5875
P698