Herman Skolnik award symposium honoring Yvonne Martin (Q48311195)

10 February 2018

title

Herman Skolnik award symposium honoring Yvonne Martin (English)

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10 February 2018

main subject

Herman Skolnik Award

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Yvonne Connolly Martin

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1

Wendy A Warr

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10 February 2018

publication date

10 December 2009

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10 February 2018

Journal of Computer - Aided Molecular Design

published in

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10 February 2018

volume

23

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10 February 2018

issue

12

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10 February 2018

page(s)

831-836

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10 February 2018

Retrieval of crystallographically-derived molecular geometry information.

cites work

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https://api.crossref.org/works/10.1007%2FS10822-009-9310-3

The most common chemical replacements in drug-like compounds.

21 January 2018

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https://api.crossref.org/works/10.1007%2FS10822-009-9310-3

Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-009-9310-3

Design of a compound screening collection for use in high throughput screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-009-9310-3

Identification of target-specific bioisosteric fragments from ligand-protein crystallographic data

21 January 2018

1 reference

12 December 2020

IsoStar: a library of information about nonbonded interactions

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12 December 2020

Synthesis and structure-activity relationships of 2-pyridones: a novel series of potent DNA gyrase inhibitors as antibacterial agents

1 reference

12 December 2020

Knowledge-based model of hydrogen-bonding propensity in organic crystals

1 reference

12 December 2020

Virtual screening for R-groups, including predicted pIC50 contributions, within large structural databases, using Topomer CoMFA.

1 reference

12 December 2020

Coulombic interactions between partially charged main-chain atoms not hydrogen-bonded to each other influence the conformations of alpha-helices and antiparallel beta-sheet. A new method for analysing the forces between hydrogen bonding groups in pr

1 reference

12 December 2020

Ritonavir: an extraordinary example of conformational polymorphism

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12 December 2020

Small molecule conformational preferences derived from crystal structure data. A medicinal chemistry focused analysis

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12 December 2020

Matched molecular pairs as a guide in the optimization of pharmaceutical properties; a study of aqueous solubility, plasma protein binding and oral exposure.

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12 December 2020

Carbonyl-carbonyl interactions stabilize the partially allowed Ramachandran conformations of asparagine and aspartic acid

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12 December 2020

Pushing the boundaries of 3D-QSAR.

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12 December 2020

The quest for bioisosteric replacements.

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12 December 2020

Orthogonal multipolar interactions in structural chemistry and biology

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12 December 2020

Representation of viruses in the remediated PDB archive

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12 December 2020

NMR-based modification of matrix metalloproteinase inhibitors with improved bioavailability

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12 December 2020

Topomers: a validated protocol for their self-consistent generation

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12 December 2020

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12 December 2020

Drug Guru: a computer software program for drug design using medicinal chemistry rules.

1 reference

12 December 2020

Coulombic attractions between partially charged main-chain atoms stabilise the right-handed twist found in most beta-strands.

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12 December 2020

The Protein Data Bank: a historical perspective.

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12 December 2020

Application of belief theory to similarity data fusion for use in analog searching and lead hopping

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12 December 2020

Kinase Patent Space Visualization Using Chemical Replacements

1 reference

12 December 2020

Drug rings database with web interface. A tool for identifying alternative chemical rings in lead discovery programs

1 reference

12 December 2020

Topomer CoMFA: a design methodology for rapid lead optimization

1 reference

12 December 2020

Comparison of conformer distributions in the crystalline state with conformational energies calculated by ab initio techniques

1 reference

12 December 2020

How large does a compound screening collection need to be?

1 reference

12 December 2020

10.1007/S10822-009-9310-3

Identifiers

DOI

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10 February 2018

DBLP publication ID

journals/jcamd/Warr09c

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DBLP Dataset 2021-01-02

28 January 2021

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10 February 2018