D. E. Clark

发表

Factors in an EM Methodology

D. E. Clark, 1978, 1978 IEEE International Symposium on Electromagnetic Compatibility.

Weapon System Survivability in Electromagnetic Environments

D. E. Clark, W. R. Free, 1979, 1979 IEEE International Symposium on Electromagnetic Compatibility.

Management and Design Guidance for EMR Hardening

D. E. Clark, W. R. Free, 1983, 1983 IEEE International Symposium on Electromagnetic Compatibility.

Identification and hit-to-lead exploration of a novel series of histamine H4 receptor inverse agonists.

D. E. Clark, S. Cramp, H. Dyke, 2010, Bioorganic & medicinal chemistry letters.

A virtual screening approach to finding novel and potent antagonists at the melanin-concentrating hormone 1 receptor.

D. E. Clark, H. Dyke, C. Higgs, 2004, Journal of medicinal chemistry.

Computational Prediction of Blood-brain Barrier Permeation

D. E. Clark, 2005 .

Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 1. Prediction of intestinal absorption.

D. E. Clark, 1999, Journal of pharmaceutical sciences.

Outstanding challenges in protein–ligand docking and structure‐based virtual screening

D. E. Clark, E. Gancia, B. Waszkowycz, 2011 .

What has virtual screening ever done for drug discovery?

D. E. Clark, 2008, Expert opinion on drug discovery.

What has computer-aided molecular design ever done for drug discovery?

D. E. Clark, 2006, Expert opinion on drug discovery.

In silico prediction of blood-brain barrier permeation.

D. E. Clark, 2003, Drug discovery today.

Current Issues in De Novo Molecular Design

D. E. Clark, C. Murray, Jin Li, 2007 .

Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration.

D. E. Clark, D E Clark, 1999, Journal of pharmaceutical sciences.

Chapter 10 Computational Prediction of ADMET Properties: Recent Developments and Future Challenges

David E. Clark, D. E. Clark, 2005 .

PRO_LIGAND: an approach to de novo molecular design. 2. Design of novel molecules from molecular field analysis (MFA) models and pharmacophores.

D. E. Clark, C. Murray, B. Robson, 1994, Journal of medicinal chemistry.

Pharmacophoric pattern matching in files of three-dimensional chemical structures: use of bounded distance matrices for the representation and searching of conformationally flexible molecules.

P Willett, D. E. Clark, P. Willett, 1992, Journal of molecular graphics.

Pharmacophoric pattern matching in files of three-dimensional chemical structures: implementation of flexible searching.

P Willett, D. E. Clark, P. Willett, 1993, Journal of molecular graphics.

Pharmacophoric pattern matching in files of three-dimensional chemical structures: use of smoothed bounded distances for incompletely specified query patterns.

P Willett, D. E. Clark, P. Willett, 1991, Journal of molecular graphics.

Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searching

Gareth Jones, Peter Willett, David E. Clark, 1994, J. Chem. Inf. Comput. Sci..

From virtual to clinical: The discovery of PGN-1531, a novel antagonist of the prostanoid EP4 receptor.

D. E. Clark, C. Higgs, P. Lockey, 2014, Bioorganic & medicinal chemistry letters.

Computational Prediction of Intestinal Absorption

D. E. Clark, 2004 .

Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.

D. E. Clark, N. Ostermann, U. Hassiepen, 2014, Bioorganic & medicinal chemistry letters.

Application of virtual screening to the discovery of novel nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with potential for the treatment of cancer and axonopathies.

D. E. Clark, Jonathan P. Clark, P. Lockey, 2016, Bioorganic & medicinal chemistry letters.

Sebetralstat (KVD900): A Potent and Selective Small Molecule Plasma Kallikrein Inhibitor Featuring a Novel P1 Group as a Potential Oral On-Demand Treatment for Hereditary Angioedema.

D. E. Clark, P. McEwan, S. Hodgson, 2022, Journal of medicinal chemistry.

Evolutionary algorithms in computer-aided molecular design

David E. Clark, David R. Westhead, D. E. Clark, 1996, J. Comput. Aided Mol. Des..

Novel heterocyclic DPP-4 inhibitors for the treatment of type 2 diabetes.

D. E. Clark, C. Higgs, N. Ostermann, 2012, Bioorganic & medicinal chemistry letters.

Computer‐Aided Molecular Diversity Analysis and Combinatorial Library Design

Stephen D. Pickett, David E. Clark, Richard A. Lewis, 2007 .

In Silico Predictions of Blood-Brain Barrier Penetration: Considerations to “Keep in Mind”

D. E. Clark, J. Goodwin, David E Clark, 2005, Journal of Pharmacology and Experimental Therapeutics.

Identification and optimisation of a series of substituted 5-(1H-pyrazol-3-yl)-thiophene-2-hydroxamic acids as potent histone deacetylase (HDAC) inhibitors.

Steve Price, D. E. Clark, H. Dyke, 2007, Bioorganic & medicinal chemistry letters.

1H-Pyrazolo[3,4-g]hexahydro-isoquinolines as selective glucocorticoid receptor antagonists with high functional activity.

D. E. Clark, N. C. Ray, H. Dyke, 2008, Bioorganic & medicinal chemistry letters.

Structure-activity relationships of a novel series of melanin-concentrating hormone (MCH) receptor antagonists.

Peter Lockey, D. E. Clark, S. Cramp, 2004, Bioorganic & medicinal chemistry letters.

PRO_LIGAND: An approach to de novo molecular design. 4. Application to the design of peptides

Barry Robson, David E. Clark, Bohdan Waszkowycz, 1995, J. Comput. Aided Mol. Des..

In silico ADMET tools: the dawn of a new generation?

D. E. Clark, David E Clark, 2007, Expert opinion on drug discovery.

Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries

David E. Clark, Stephen D. Pickett, Iain M. McLay, 2000, J. Chem. Inf. Comput. Sci..

What has polar surface area ever done for drug discovery?

D. E. Clark, 2011, Future medicinal chemistry.

Flexible docking using tabu search and an empirical estimate of binding affinity

D. E. Clark, C. Murray, D. Westhead, 1998, Proteins.

A comparison of heuristic search algorithms for molecular docking

David E. Clark, David R. Westhead, Christopher W. Murray, 1997, J. Comput. Aided Mol. Des..

Searching Databases of Two-Dimensional and Three-Dimensional Chemical Structures Using Genetic Algorithms

Gareth Jones, Peter Willett, David E. Clark, 1993, International Conference on Genetic Algorithms.

PRO_LIGAND: An approach to de novo molecular design. 3. A genetic algorithm for structure refinement

Barry Robson, Bohdan Waszkowycz, David R. Westhead, 1995, J. Comput. Aided Mol. Des..

Automated De Novo Drug Design: Are We Nearly There Yet?

Gisbert Schneider, D. E. Clark, David E Clark, 2019, Angewandte Chemie.

Virtual Screening: Is Bigger Always Better? Or Can Small Be Beautiful?

D. E. Clark, David E Clark, 2020, J. Chem. Inf. Model..

Discovery and optimization of novel, non-steroidal glucocorticoid receptor modulators.

D. E. Clark, N. C. Ray, H. Dyke, 2007, Bioorganic & medicinal chemistry letters.

Evolutionary Algorithms in Molecular Design

David E. Clark, D. E. Clark, 1999 .

Discovery of LRRK2 inhibitors by using an ensemble of virtual screening methods.

Emanuela Gancia, D. E. Clark, E. Gancia, 2017, Bioorganic & medicinal chemistry letters.

Prediction of intestinal absorption and blood-brain barrier penetration by computational methods.

D. E. Clark, D E Clark, 2001, Combinatorial chemistry & high throughput screening.

Active-site-directed 3D database searching: Pharmacophore extraction and validation of hits

David E. Clark, David R. Westhead, Christopher W. Murray, 1996, J. Comput. Aided Mol. Des..

PRO_LIGAND: An approach to de novo molecular design. 1. Application to the design of organic molecules

Barry Robson, David E. Clark, Bohdan Waszkowycz, 1995, J. Comput. Aided Mol. Des..

Outsourcing lead optimization: the eye of the storm.

D. E. Clark, 2011, Drug discovery today.

Computational methods for the prediction of 'drug-likeness'

Pickett, D. E. Clark, Clark, 2000, Drug discovery today.

2-Benzenesulfonyl-8a-benzyl-hexahydro-2H-isoquinolin-6-ones as selective glucocorticoid receptor antagonists.

D. E. Clark, N. C. Ray, H. Dyke, 2007, Bioorganic & medicinal chemistry letters.

PRO_SELECT: Combining structure-based drug design and combinatorial chemistry for rapid lead discovery. 1. Technology

David E. Clark, Bohdan Waszkowycz, David R. Westhead, 1997, J. Comput. Aided Mol. Des..

MOLMAKER: De Novo Generation of 3D Databases for Use in Drug Design

David E. Clark, Christopher W. Murray, Michael A. Firth, 1996, J. Chem. Inf. Comput. Sci..

PRO_LIGAND: An approach to de novo molecular design. 6. Flexible fitting in the design of peptides

David E. Clark, Christopher W. Murray, D. E. Clark, 1995, J. Comput. Aided Mol. Des..

PRO_LIGAND: An approach to de novo molecular design. 3. A genetic algorithm for structure refinement

D. E. Clark, C. Murray, B. Robson, 1995, J. Comput. Aided Mol. Des..

Progress in computational methods for the prediction of ADMET properties.

D. E. Clark, P. Grootenhuis, Peter D J Grootenhuis, 2002, Current opinion in drug discovery & development.