A5033174313- Computational Drug Discovery Methods
- Music History and Culture
- Genetics, Bioinformatics, and Biomedical Research
- Race, History, and American Society
- HIV/AIDS drug development and treatment
- Biotechnology and Related Fields
- Scientific Computing and Data Management
- Chemical Synthesis and Analysis
- Law in Society and Culture
- Plant biochemistry and biosynthesis
- Synthesis and biological activity
- Criminal Justice and Corrections Analysis
- Microbial Natural Products and Biosynthesis
- Protein Structure and Dynamics
- HIV Research and Treatment
- Bioinformatics and Genomic Networks
- Advanced Biosensing Techniques and Applications
- Health and Medical Research Impacts
- Receptor Mechanisms and Signaling
- Hepatitis C virus research
- Crime, Deviance, and Social Control
- Biomedical Text Mining and Ontologies
- Innovative Microfluidic and Catalytic Techniques Innovation
- Academic Publishing and Open Access
- Social Media and Politics
Royal Holloway University of London
2018
Merck & Co., Inc., Rahway, NJ, USA (United States)
2015-2017
Centre for Science, Society and Citizenship
2013
St. John's College
2013
Pfizer (United States)
2004-2012
University of North Carolina at Chapel Hill
2012
Scynexis (United States)
2001
Triangle
2001
Research Triangle Park Foundation
1997
National Institute of Environmental Health Sciences
1996
VALIDATE is a hybrid approach to predict the binding affinity of novel ligands for receptors known three-dimensional structure. This calculates physicochemical properties ligand and receptor−ligand complex estimate free energy binding. The enthalpy calculated by molecular mechanics while such as complementary hydrophobic surface area are used entropy through heuristics. A diverse training set 51 crystalline complexes was assembled, their relevant were computed. These analyzed partial least...
Comparative molecular field analysis (CoMFA), a three-dimensional quantitative structure−activity relationship (3D-QSAR) paradigm, was used to examine the estrogen receptor (ER) binding affinities of series structurally diverse natural, synthetic, and environmental chemicals interest. The CoMFA/3D-QSAR model is statistically robust internally consistent, successfully illustrates that overall steric electrostatic properties ligands for are both necessary sufficient describe affinity. ability...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThree-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rulesChris L. Waller, Tudor I. Oprea, Alessandro Giolitti, and Garland R. MarshallCite this: J. Med. Chem. 1993, 36, 26, 4152–4160Publication Date (Print):December 1, 1993Publication History Published online1 May 2002Published inissue 1 December...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThree-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors. 2. Predictive power using limited exploration alternate binding modesTudor I. Oprea, Chris L. Waller, and Garland R. MarshallCite this: J. Med. Chem. 1994, 37, 14, 2206–2215Publication Date (Print):July 1, 1994Publication History Published online1 May 2002Published inissue 1 July...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXT3D-QSAR(Three-Dimensional Quantitative Structure)-Activity Relationship Of Angiotensin-Converting Enzyme And Thermolysin Inhibitors. II. A Comparison CoMFA Models Incorporating Molecular Orbital Fields Desolvation Free Energies Based On Active-Analog Complementary-Receptor-Field Alignment RulesChris L. Waller and Garland R. MarshallCite this: J. Med. Chem. 1993, 36, 16, 2390–2403Publication Date (Print):August 1, 1993Publication History Published...
Music's sanctioned role in the day-to-day running of 'late-modern' prison is to ensure wellbeing and compliance prisoners, with most regimes facilitating access music through form radios, cd's, cassette players. As a result, often comes tied judgements by regime about prisoners' conduct, incentive systems allowing confiscate earned possessions under certain conditions. In this way, continuous mechanisms carceral control, its 'humanising' or 'therapeutic' effects being defined as luxury be...
Abstract Drug Discovery is shifting focus from the industry to outside partners and in process creating new bottlenecks, suggesting need for a more disruptive overhaul. Technologies like high throughput screening (HTS) have moved larger number of academic institutional laboratories US, with little apparent coordination or consideration outputs translational gap. While there been collaborative public private partnerships Europe share pharmaceutical data, USA has lagged behind. Sharing...
At a time of yet more curriculum change, change that is dubbed politically motivated and about political dogma than educational development, this book most apposite. Lee Jerome i...
The poetry of Anton Schnack is not well known, even in Germany. While studying at Munich University 1913, came into contact with avant-garde literary circles and contributed poems to numerous Expressionist journals. He spent four months on the Western Front 1915–16 before being invalided home. Subsequently he produced three collections a volume outstanding war poems, ‘Tier rang gewaltig mit Tier’. sonnets this long cycle place him front rank poets. They end poetic triumph or reconciliation,...