List of works - Ross McGuire

3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine

scientific article

3D-e-Chem: Structural Cheminformatics Workflows for Computer-Aided Drug Discovery.

scientific article published on 16 January 2018

A Molecular Chameleon: Chair and Twist-Boat Conformations of a 5,9-Methanobenzo[8]annulene

A molecular informatics view on best practice in multi-parameter compound optimization

scientific article published on 13 May 2011

A prospective cross-screening study on G-protein-coupled receptors: lessons learned in virtual compound library design

scientific article

Alpha-amino acid phenolic ester derivatives: novel water-soluble general anesthetic agents which allosterically modulate GABA(A) receptors.

scientific article

ChemInform Abstract: Expert System Assisted Pharmacophore Identification

Conformationally constrained anesthetic steroids that modulate GABA(A) receptors

scientific article published in November 2000

Current progress in Structure-Based Rational Drug Design marks a new mindset in drug discovery

scientific article

Data-driven medicinal chemistry in the era of big data

scientific article

Derivation and validation of toxicophores for mutagenicity prediction

scientific article published in January 2005

Design and synthesis of a maximally diverse and druglike screening library using REM resin methodology.

scientific article

Development of an activity-based probe and in silico design reveal highly selective inhibitors for diacylglycerol lipase-α in brain

scientific article published on 31 October 2013

Discovery of glycine sulfonamides as dual inhibitors of sn-1-diacylglycerol lipase α and α/β-hydrolase domain 6.

scientific article published on 23 July 2014

Drug design for ever, from hype to hope

scientific article (publication date: 2012)

Expert system assisted pharmacophore identification

scientific article published in March 2000

From the protein's perspective: the benefits and challenges of protein structure-based pharmacophore modeling

Non-depolarizing Neuromuscular Blocking Activity of Bisquaternary Amino Di- and Tripeptide Derivatives

scientific article published on 01 December 2000

Org 214007-0: a novel non-steroidal selective glucocorticoid receptor modulator with full anti-inflammatory properties and improved therapeutic index

scientific article

Principal components describing biological activities and molecular diversity of heterocyclic aromatic ring fragments

scientific article published in September 1996

Structural Basis for Agonism and Antagonism for a Set of Chemically Related Progesterone Receptor Modulators

scientific article

X-ray Structures of Progesterone Receptor Ligand Binding Domain in Its Agonist State Reveal Differing Mechanisms for Mixed Profiles of 11 -Substituted Steroids

scientific article

X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling

scientific article

List of works by Ross McGuire

3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine

3D-e-Chem: Structural Cheminformatics Workflows for Computer-Aided Drug Discovery.

A Molecular Chameleon: Chair and Twist-Boat Conformations of a 5,9-Methanobenzo[8]annulene

A molecular informatics view on best practice in multi-parameter compound optimization

A prospective cross-screening study on G-protein-coupled receptors: lessons learned in virtual compound library design

Alpha-amino acid phenolic ester derivatives: novel water-soluble general anesthetic agents which allosterically modulate GABA(A) receptors.

ChemInform Abstract: Expert System Assisted Pharmacophore Identification

Conformationally constrained anesthetic steroids that modulate GABA(A) receptors

Current progress in Structure-Based Rational Drug Design marks a new mindset in drug discovery

Data-driven medicinal chemistry in the era of big data

Derivation and validation of toxicophores for mutagenicity prediction

Design and synthesis of a maximally diverse and druglike screening library using REM resin methodology.

Development of an activity-based probe and in silico design reveal highly selective inhibitors for diacylglycerol lipase-α in brain

Discovery of glycine sulfonamides as dual inhibitors of sn-1-diacylglycerol lipase α and α/β-hydrolase domain 6.

Drug design for ever, from hype to hope

Expert system assisted pharmacophore identification

From the protein's perspective: the benefits and challenges of protein structure-based pharmacophore modeling

Non-depolarizing Neuromuscular Blocking Activity of Bisquaternary Amino Di- and Tripeptide Derivatives

Org 214007-0: a novel non-steroidal selective glucocorticoid receptor modulator with full anti-inflammatory properties and improved therapeutic index

Principal components describing biological activities and molecular diversity of heterocyclic aromatic ring fragments

Structural Basis for Agonism and Antagonism for a Set of Chemically Related Progesterone Receptor Modulators

X-ray Structures of Progesterone Receptor Ligand Binding Domain in Its Agonist State Reveal Differing Mechanisms for Mixed Profiles of 11 -Substituted Steroids

X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling