Works matching DE "DRUG design"
Results: 5000
Genomic Subtypes in Choosing Adjuvant Therapy for Breast Cancer.
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- Oncology (08909091), 2013, v. 27, n. 3, p. 204
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- Article
Announcements.
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- Oncology (08909091), 2007, v. 21, n. 2, p. 160
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- Article
NON-MUSCLE-INVASIVE BLADDER CANCER: The revolution is here.
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- Urology Times, 2021, v. 49, n. 5, p. 1
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- Article
New initiative would speed FDA approvals.
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- Urology Times, 2015, v. 43, n. 7, p. 43
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- Publication type:
- Article
Trilaciclib for the reduction of chemotherapy-induced myelosuppression in the management of extensive-stage small cell lung cancer: a profile of its use.
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- Drugs & Therapy Perspectives, 2022, v. 38, n. 2, p. 64, doi. 10.1007/s40267-021-00889-0
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- Article
Aliskiren, the first direct renin inhibitor for treatment of hypertension: The path of its development.
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- Journal of Postgraduate Medicine, 2012, v. 58, n. 1, p. 32, doi. 10.4103/0022-3859.93250
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- Article
Development of botanical principles for clinical use in cancer: Where are we lacking?
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- 2012
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- Publication type:
- Opinion
Metallochaperone UreG serves as a new target for design of urease inhibitor: A novel strategy for development of antimicrobials.
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- PLoS Biology, 2018, v. 16, n. 1, p. 1, doi. 10.1371/journal.pbio.2003887
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- Publication type:
- Article
High-throughput identification and rational design of synergistic small-molecule pairs for combating and bypassing antibiotic resistance.
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- PLoS Biology, 2017, v. 15, n. 6, p. 1, doi. 10.1371/journal.pbio.2001644
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- Article
Freezing firefly algorithm for efficient planted (ℓ, d) motif search.
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- 2022
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- Publication type:
- journal article
NTU Researchers Make Significant Findings about Protein Architecture.
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- Innovation, 2011, v. 10, n. 1, p. 75
- Publication type:
- Article
Salting-Out Waterborne Catiomeric Polyurethanes for Drugs Encapsulation and Delivery.
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- Macromolecular Chemistry & Physics, 2015, v. 216, n. 19, p. 1914, doi. 10.1002/macp.201500202
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- Publication type:
- Article
Unraveling the Source of Self‐Induced Diastereomeric Anisochronism in Chiral Dipeptides.
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- Chemistry - A European Journal, 2024, v. 30, n. 59, p. 1, doi. 10.1002/chem.202402637
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- Article
Structure‐Based Design of Ultrapotent Tricyclic Ligands for FK506‐Binding Proteins.
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- Chemistry - A European Journal, 2024, v. 30, n. 45, p. 1, doi. 10.1002/chem.202401405
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- Publication type:
- Article
Catalytic Asymmetric Synthesis of N−N Biaryl Atropisomers.
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- Chemistry - A European Journal, 2024, v. 30, n. 2, p. 1, doi. 10.1002/chem.202303165
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- Publication type:
- Article
Antimalarial Agents Derived from Metal‐Amodiaquine Complexes with Activity in Multiple Stages of the Plasmodium Life Cycle.
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- Chemistry - A European Journal, 2023, v. 29, n. 55, p. 1, doi. 10.1002/chem.202301642
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- Publication type:
- Article
Cover Feature: Exploration of N‐Arylation of Backbone Amides as a Novel Tool for Conformational Modification in Peptides (Chem. Eur. J. 40/2023).
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- Chemistry - A European Journal, 2023, v. 29, n. 40, p. 1, doi. 10.1002/chem.202301803
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- Publication type:
- Article
A Late-Stage Aryl C--H Olefination Strategy and Its Application Towards Global Proteome Profiling of Δ<sup>8</sup>-Tetrahydrocannabinol.
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- Chemistry - A European Journal, 2023, v. 29, n. 29, p. 1, doi. 10.1002/chem.202300531
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- Article
Atroposelective Nenitzescu Indole Synthesis.
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- Chemistry - A European Journal, 2023, v. 29, n. 25, p. 1, doi. 10.1002/chem.202300279
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- Publication type:
- Article
Carbotrifluoromethylations of C−C Multiple Bonds (Excluding Aryl‐ and Alkynyltrifluoromethylations).
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- Chemistry - A European Journal, 2023, v. 29, n. 19, p. 1, doi. 10.1002/chem.202203499
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- Publication type:
- Article
4D Printing of Engineered Living Materials.
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- Advanced Functional Materials, 2022, v. 32, n. 4, p. 1, doi. 10.1002/adfm.202106843
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- Publication type:
- Article
Materials for Silicon Quantum Dots and their Impact on Electron Spin Qubits.
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- Advanced Functional Materials, 2022, v. 32, n. 3, p. 1, doi. 10.1002/adfm.202105488
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- Publication type:
- Article
Hybrid Living Materials: Digital Design and Fabrication of 3D Multimaterial Structures with Programmable Biohybrid Surfaces.
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- Advanced Functional Materials, 2020, v. 30, n. 7, p. N.PAG, doi. 10.1002/adfm.201907401
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- Publication type:
- Article
Meta-QSAR: a large-scale application of meta-learning to drug design and discovery.
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- Machine Learning, 2018, v. 107, n. 1, p. 285, doi. 10.1007/s10994-017-5685-x
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- Publication type:
- Article
Guest editors introduction: special issue on inductive logic programming.
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- 2016
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- Publication type:
- Editorial
ILP-assisted de novo drug design.
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- Machine Learning, 2016, v. 103, n. 3, p. 309, doi. 10.1007/s10994-016-5556-x
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- Publication type:
- Article
Discovering promising drug candidates for Parkinson's disease: integrating miRNA and DEG analysis with molecular dynamics and MMPBSA.
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- Journal of Computer-Aided Molecular Design, 2025, v. 39, n. 1, p. 1, doi. 10.1007/s10822-025-00586-4
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- Publication type:
- Article
De novo drug design through gradient-based regularized search in information-theoretically controlled latent space.
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- Journal of Computer-Aided Molecular Design, 2024, v. 38, n. 1, p. 1, doi. 10.1007/s10822-024-00571-3
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- Publication type:
- Article
Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory.
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- Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 12, p. 607, doi. 10.1007/s10822-023-00513-5
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- Publication type:
- Article
Galileo: Three-dimensional searching in large combinatorial fragment spaces on the example of pharmacophores.
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- Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 1, p. 1, doi. 10.1007/s10822-022-00485-y
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- Publication type:
- Article
FastGrow: on-the-fly growing and its application to DYRK1A.
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 9, p. 639, doi. 10.1007/s10822-022-00469-y
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- Publication type:
- Article
Ligand-based and structure-based studies to develop predictive models for SARS-CoV-2 main protease inhibitors through the 3d-qsar.com portal.
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 7, p. 483, doi. 10.1007/s10822-022-00460-7
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- Publication type:
- Article
RDPSOVina: the random drift particle swarm optimization for protein–ligand docking.
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 6, p. 415, doi. 10.1007/s10822-022-00455-4
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- Publication type:
- Article
Is there a common allosteric binding site for G-protein coupled receptors?
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 6, p. 405, doi. 10.1007/s10822-022-00454-5
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- Article
Progress on open chemoinformatic tools for expanding and exploring the chemical space.
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 5, p. 341, doi. 10.1007/s10822-021-00399-1
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- Publication type:
- Article
SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction.
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 4, p. 291, doi. 10.1007/s10822-022-00452-7
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- Publication type:
- Article
Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approaches.
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 4, p. 263, doi. 10.1007/s10822-022-00443-8
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- Article
Affinity prediction using deep learning based on SMILES input for D3R grand challenge 4.
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 3, p. 225, doi. 10.1007/s10822-022-00448-3
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- Article
Relative free-energy calculations for scaffold hopping-type transformations with an automated RE-EDS sampling procedure.
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 2, p. 117, doi. 10.1007/s10822-021-00436-z
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- Article
Benchmarking ensemble docking methods in D3R Grand Challenge 4.
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 2, p. 87, doi. 10.1007/s10822-021-00433-2
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- Publication type:
- Article
Turbo prediction: a new approach for bioactivity prediction.
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 1, p. 77, doi. 10.1007/s10822-021-00440-3
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- Publication type:
- Article
Binding site identification of G protein-coupled receptors through a 3D Zernike polynomials-based method: application to C. elegans olfactory receptors.
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 1, p. 11, doi. 10.1007/s10822-021-00434-1
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- Publication type:
- Article
Target identification for repurposed drugs active against SARS-CoV-2 via high-throughput inverse docking.
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 1, p. 25, doi. 10.1007/s10822-021-00432-3
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- Publication type:
- Article
Evaluation of log P, pKa, and log D predictions from the SAMPL7 blind challenge.
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- Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 7, p. 771, doi. 10.1007/s10822-021-00397-3
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- Publication type:
- Article
The critical role of QM/MM X-ray refinement and accurate tautomer/protomer determination in structure-based drug design.
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- Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 4, p. 433, doi. 10.1007/s10822-020-00354-6
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- Publication type:
- Article
ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules.
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- Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 4, p. 399, doi. 10.1007/s10822-020-00337-7
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- Publication type:
- Article
SAMPL7 TrimerTrip host–guest binding affinities from extensive alchemical and end-point free energy calculations.
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- Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 1, p. 117, doi. 10.1007/s10822-020-00351-9
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- Publication type:
- Article
An online repository of solvation thermodynamic and structural maps of SARS-CoV-2 targets.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 12, p. 1219, doi. 10.1007/s10822-020-00341-x
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- Publication type:
- Article
ProIn-Fuse: improved and robust prediction of proinflammatory peptides by fusing of multiple feature representations.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 12, p. 1229, doi. 10.1007/s10822-020-00343-9
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- Publication type:
- Article
Addressing free fatty acid receptor 1 (FFAR1) activation using supervised molecular dynamics.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 11, p. 1181, doi. 10.1007/s10822-020-00338-6
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- Publication type:
- Article