Results 191 to 200 of about 130,967 (246)

Characterization of the Second-Generation Covalent Fragment Library (CovLib Gen2): Thiol Reactivity Profiling and p53-Y220C Rescue. [PDF]

Drug Des Devel Ther
Schwer M, Aldea SR, Engelhardt MU, Stahlecker J, Rheinganz J, Langkamp A, Boeckler FM.   +6 more
europepmc   +1 more source

CustomKinFragLib: Filtering the Kinase-Focused Fragmentation Library. [PDF]

ACS Omega
Linh Kramer P, Buchthal K, Sydow D, Sonja Leo K, Volkamer A.   +4 more
europepmc   +1 more source

A decision-driven framework for the mass spectrometry analysis of previously uncharacterized protein modifications. [PDF]

STAR Protoc
Zhu Y.
europepmc   +1 more source

Using generative AI to transform peptide hits into small molecule leads. [PDF]

Beilstein J Org Chem
Mills J, Lau YH.
europepmc   +1 more source

Split Reporter Systems in Viral Protein-Protein Interactions and Multimerization: Mechanisms and Applications. [PDF]

Cells
Ahmad H, Masood F, Iqbal U, Shaltout M, Yukselten Y, Sutton RE.   +5 more
europepmc   +1 more source

Developments and challenges in hit progression within fragment-based drug discovery. [PDF]

Nat Commun
Grosjean H, Biggin PC.
europepmc   +1 more source

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In silico fragment-based drug design with SEED

European Journal of Medicinal Chemistry, 2018
We report on two fragment-based drug design protocols, SEED2XR and ALTA, which start by high-throughput docking. SEED2XR is a two-stage protocol for fragment-based drug design. The first stage is in silico and consists of the automatic docking of 10-10 fragments using SEED, which requires about 1 s per fragment.
Amedeo Caflisch, Jean-Remy Marchand
exaly   +5 more sources

Counting on Fragment Based Drug Design Approach for Drug Discovery

Current Topics in Medicinal Chemistry, 2019
Fragment based drug design (FBDD) is a structure guided ligand design approach used in the process of drug discovery. It involves identification of low molecular weight fragments as hits followed by determination of their binding mode using X-ray crystallography and/or NMR spectroscopy.
Om Silakari, Pankaj Kumar Singh, Aanchal Kashyap   +2 more
exaly   +3 more sources

Development of Computational Approaches with a Fragment-Based Drug Design Strategy: In Silico Hsp90 Inhibitors Discovery [PDF]

International Journal of Molecular Sciences, 2021
Elizabeth Montero, Jorge Soto-Delgado, Roberto Leon   +2 more
exaly   +2 more sources

Fragment based drug design

Physical Sciences Reviews, 2022
Abstract Rational approaches towards drug development have emerged as one of the most promising ways among the tedious conventional procedures with the aim of redefining the drug discovery process. The need of current medical system is demanding a much precise, faster and reliable approaches in parallel to faster growing technology for ...
Rahul Ashok Sachdeo, Tulika Anthwal, Sumitra Nain   +2 more
openaire   +1 more source