A Real-World Perspective on Molecular Design

A Real-World Perspective on Molecular Design

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http://www.wikidata.org/entity/Q27704031
High quality, small molecule-activity datasets for kinase researchModeling & Informatics at Vertex Pharmaceuticals Incorporated: our philosophy for sustained impact.Rapid and Reliable Binding Affinity Prediction of Bromodomain Inhibitors: A Computational Study.Automatically updating predictive modeling workflows support decision-making in drug design.Use of Integrated Computational Approaches in the Search for New Therapeutic Agents.Insights from molecular modeling into the selective inhibition of cathepsin S by its inhibitor.The influence of intramolecular sulfur-lone pair interactions on small-molecule drug design and receptor binding.Are induced fit protein conformational changes caused by ligand-binding predictable? A molecular dynamics investigation.Computer-aided design of multi-target ligands at A1R, A2AR and PDE10A, key proteins in neurodegenerative diseases.Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs.Computer-aided drug design at Boehringer Ingelheim.Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: Amide⋅⋅⋅Heteroarene π-Stacking Interactions and Chalcogen Bonding in the S3 Pocket.Molecular Dynamics Exploration of Selectivity of Dual Inhibitors 5M7, 65X, and 65Z toward Fatty Acid Binding Proteins 4 and 5
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A Real-World Perspective on Molecular Design

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http://www.wikidata.org/entity/Q27704031
description
2016 nî lūn-bûn
@nan
2016 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2016 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2016年の論文
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2016年論文
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2016年論文
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2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
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2016年论文
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name
A Real-World Perspective on Molecular Design
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A Real-World Perspective on Molecular Design
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A Real-World Perspective on Molecular Design
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type
label
A Real-World Perspective on Molecular Design
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A Real-World Perspective on Molecular Design
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A Real-World Perspective on Molecular Design
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A Real-World Perspective on Molecular Design
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A Real-World Perspective on Molecular Design
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A Real-World Perspective on Molecular Design
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A Real-World Perspective on Molecular Design
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10.1021/ACS.JMEDCHEM.5B01875
P407
P433
P478
P50
P577
P698
P921