Lista de obras - Andrew Leach - Dominio Público Uruguay

A comparison of field-based similarity searching methods: CatShape, FBSS, and ROCS.

artículo científico publicado en 2008

A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP.

artículo científico publicado en 2002

A large-scale dataset of in vivo pharmacology assay results

artículo científico publicado en 2018

An analysis of the attrition of drug candidates from four major pharmaceutical companies

artículo científico publicado en 2015

An investigation into the construction of molecular models by the template joining method

artículo científico publicado en 1988

Analysis and optimization of structure-based virtual screening protocols. (3). New methods and old problems in scoring function design.

artículo científico publicado en 2003

Automated conformational analysis and structure generation: algorithms for molecular perception

artículo científico publicado en 1990

Automated conformational analysis: algorithms for the efficient construction of low-energy conformations

artículo científico publicado en 1990

Automated molecular design: a new fragment-joining algorithm

artículo científico publicado en 1994

Binding constants of neuraminidase inhibitors: An investigation of the linear interaction energy method

artículo científico publicado en 1999

ChEMBL: towards direct deposition of bioassay data

article by David Mendez et al published 6 November 2018 in Nucleic Acids Research

Characterising hepatic mitochondrial function as a model for systemic toxicity: a commentary

scientific article published on 01 December 2012

Cheminformatics and computational chemistry in lead optimisation

Computer-aided molecular design under the SWOTlight

artículo científico publicado en 2011

Constitutional, configurational and conformational analysis of transition metal coordination complexes

artículo científico publicado en 1993

Current methods for site-directed structure generation.

artículo científico publicado en 1994

Design and synthesis of orally active pyrrolidin-2-one-based factor Xa inhibitors

article

Development and validation of a genetic algorithm for flexible docking

artículo científico publicado en 1997

Drug Target Commons: A Community Effort to Build a Consensus Knowledge Base for Drug-Target Interactions

artículo científico publicado en 2017

Enantioselective N-oxygenation of chlorpheniramine by the flavin-containing monooxygenase from hog liver

artículo científico publicado en 1992

Fragment screening: an introduction

artículo científico publicado en 2006

Influence of HLA Class II Polymorphism on Predicted Cellular Immunity Against SARS-CoV-2 at the Population and Individual Level

artículo científico publicado en 2021

Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery

Ligand docking to proteins with discrete side-chain flexibility

artículo científico publicado en 1994

Ligand solvation in molecular docking

artículo científico publicado en 1999

MAIP: a web service for predicting blood-stage malaria inhibitors

artículo científico publicado en 2021

Molecular complexity and fragment-based drug discovery: ten years on.

artículo científico publicado en 2011

PLUMS: a program for the rapid optimization of focused libraries.

artículo científico publicado en 2000

Prediction of biological activity for high-throughput screening using binary kernel discrimination

artículo científico publicado en 2001

Prediction of protein-ligand interactions. Docking and scoring: successes and gaps

artículo científico publicado en 2006

Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”

Reprint of: Characterising hepatic mitochondrial function as a model for systemic toxicity: A commentary ⬇️

artículo científico publicado el 8 de noviembre de 2012

SAR Knowledge Bases in Drug Discovery

Structure-based selection of building blocks for array synthesis via the World-Wide Web ⬇️

artículo científico publicado el 1 de junio de 1997

The ChEMBL database in 2017

artículo científico publicado en 2017

The aggregation behaviour of two structurally isomeric glycolipids

scientific article published on 01 October 1994

Three-dimensional pharmacophore methods in drug discovery

artículo científico publicado en 2010

Unexplored therapeutic opportunities in the human genome

scientific article published on 23 March 2018

Unexplored therapeutic opportunities in the human genome.

artículo científico publicado en 2018

Using ChEMBL web services for building applications and data processing workflows relevant to drug discovery.

artículo científico publicado en 2017

Lista de obras de Andrew Leach

A comparison of field-based similarity searching methods: CatShape, FBSS, and ROCS.

A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP.

A large-scale dataset of in vivo pharmacology assay results

An analysis of the attrition of drug candidates from four major pharmaceutical companies

An investigation into the construction of molecular models by the template joining method

Analysis and optimization of structure-based virtual screening protocols. (3). New methods and old problems in scoring function design.

Automated conformational analysis and structure generation: algorithms for molecular perception

Automated conformational analysis: algorithms for the efficient construction of low-energy conformations

Automated molecular design: a new fragment-joining algorithm

Binding constants of neuraminidase inhibitors: An investigation of the linear interaction energy method

ChEMBL: towards direct deposition of bioassay data

Characterising hepatic mitochondrial function as a model for systemic toxicity: a commentary

Cheminformatics and computational chemistry in lead optimisation

Computer-aided molecular design under the SWOTlight

Constitutional, configurational and conformational analysis of transition metal coordination complexes

Current methods for site-directed structure generation.

Design and synthesis of orally active pyrrolidin-2-one-based factor Xa inhibitors

Development and validation of a genetic algorithm for flexible docking

Drug Target Commons: A Community Effort to Build a Consensus Knowledge Base for Drug-Target Interactions

Enantioselective N-oxygenation of chlorpheniramine by the flavin-containing monooxygenase from hog liver

Fragment screening: an introduction

Influence of HLA Class II Polymorphism on Predicted Cellular Immunity Against SARS-CoV-2 at the Population and Individual Level

Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery

Ligand docking to proteins with discrete side-chain flexibility

Ligand solvation in molecular docking

MAIP: a web service for predicting blood-stage malaria inhibitors

Molecular complexity and fragment-based drug discovery: ten years on.

PLUMS: a program for the rapid optimization of focused libraries.

Prediction of biological activity for high-throughput screening using binary kernel discrimination

Prediction of protein-ligand interactions. Docking and scoring: successes and gaps

Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”

Reprint of: Characterising hepatic mitochondrial function as a model for systemic toxicity: A commentary ⬇️

SAR Knowledge Bases in Drug Discovery

Structure-based selection of building blocks for array synthesis via the World-Wide Web ⬇️

The ChEMBL database in 2017

The aggregation behaviour of two structurally isomeric glycolipids

Three-dimensional pharmacophore methods in drug discovery

Unexplored therapeutic opportunities in the human genome

Unexplored therapeutic opportunities in the human genome.

Using ChEMBL web services for building applications and data processing workflows relevant to drug discovery.