Philip M. Dean

According to our database, Philip M. Dean authored at least 30 papers between 1990 and 2007.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2007

QUASI: A Novel Method for Simultaneous Superposition of Multiple Flexible Ligands and Virtual Screening Using Partial Similarity.

Nikolay P. Todorov, Ian L. Alberts, Iwan J. P. de Esch, Philip M. Dean

J. Chem. Inf. Model., 2007

2006

Exhaustive de novo Design of Low-Molecular-Weight Fragments Against the ATP-Binding Site of DNA-Gyrase.

Stuart Firth-Clark, Nikolay P. Todorov, Ian L. Alberts, Anthony Williams, Timothy James, Philip M. Dean

J. Chem. Inf. Model., 2006

2002

A validation study on the practical use of automated de novo design.

Martin Stahl, Nikolay P. Todorov, Timothy James, Harald Mauser, Hans-Joachim Böhm, Philip M. Dean

J. Comput. Aided Mol. Des., 2002

2001

Slate: A method for the superposition of flexible ligands.

J. E. J. Mills, Iwan J. P. de Esch, Tim D. J. Perkins, Philip M. Dean

J. Comput. Aided Mol. Des., 2001

1999

Design criteria for molecular mimics of fragments of the beta-turn. 2. C-alpha-C-beta bond vector analysis.

S. L. Garland, Philip M. Dean

J. Comput. Aided Mol. Des., 1999

Design criteria for molecular mimics of fragments of the beta-turn. 1. C-alpha atom analysis.

S. L. Garland, Philip M. Dean

J. Comput. Aided Mol. Des., 1999

1998

A branch-and-bound method for optimal atom-type assignment in de novo ligand design.

Nikolay P. Todorov, Philip M. Dean

J. Comput. Aided Mol. Des., 1998

1997

Evaluation of a method for controlling molecular scaffold diversity in de novo ligand design.

Nikolay P. Todorov, Philip M. Dean

J. Comput. Aided Mol. Des., 1997

An automated method for predicting the positions of hydrogen-bonding atoms in binding sites.

J. E. J. Mills, Tim D. J. Perkins, Philip M. Dean

J. Comput. Aided Mol. Des., 1997

1996

Three-dimensional hydrogen-bond geometry and probability information from a crystal survey.

J. E. J. Mills, Philip M. Dean

J. Comput. Aided Mol. Des., 1996

1995

Hydration in drug design. 3. Conserved water molecules at the ligand-binding sites of homologous proteins.

C. S. Poornima, P. M. Dean

J. Comput. Aided Mol. Des., 1995

Hydration in drug design. 2. Influence of local site surface shape on water binding.

C. S. Poornima, P. M. Dean

J. Comput. Aided Mol. Des., 1995

Hydration in drug design. 1. Multiple hydrogen-bonding features of water molecules in mediating protein-ligand interactions.

C. S. Poornima, P. M. Dean

J. Comput. Aided Mol. Des., 1995

Molecular surface-volume and property matching to superpose flexible dissimilar molecules.

Tim D. J. Perkins, J. E. J. Mills, Philip M. Dean

J. Comput. Aided Mol. Des., 1995

The atom assignment problem in automated de novo drug design. 5. Tests for envelope-directed fragment placement based on molecular similarity.

M. T. Barakat, P. M. Dean

J. Comput. Aided Mol. Des., 1995

The atom assignment problem in automated de novo drug design. 4. Tests for site-directed fragment placement based on molecular complementarity.

M. T. Barakat, P. M. Dean

J. Comput. Aided Mol. Des., 1995

The atom assignment problem in automated de novo drug design. 3. Algorithms for optimization of fragment placement onto 3D molecular graphs.

M. T. Barakat, P. M. Dean

J. Comput. Aided Mol. Des., 1995

The atom assignment problem in automated de novo drug design. 2. A method for molecular graph and fragment perception.

M. T. Barakat, P. M. Dean

J. Comput. Aided Mol. Des., 1995

The atom assignment problem in automated de novo drug design. 1. Transferability of molecular fragment properties.

M. T. Barakat, P. M. Dean

J. Comput. Aided Mol. Des., 1995

1994

Electrostatic complementarity between proteins and ligands. 3. Structural basis.

P.-L. Chau, Philip M. Dean

J. Comput. Aided Mol. Des., 1994

Electrostatic complementarity between proteins and ligands. 2. Ligand moieties.

P.-L. Chau, Philip M. Dean

J. Comput. Aided Mol. Des., 1994

Electrostatic complementarity between proteins and ligands. 1. Charge disposition, dielectric and interface effects.

P.-L. Chau, Philip M. Dean

J. Comput. Aided Mol. Des., 1994

1993

An exploration of a novel strategy for superposing several flexible molecules.

Tim D. J. Perkins, Philip M. Dean

J. Comput. Aided Mol. Des., 1993

1992

Automated site-directed drug design: An assessment of the transferability of atomic residual charges (CNDO) for molecular fragments.

P.-L. Chau, Philip M. Dean

J. Comput. Aided Mol. Des., 1992

Automated site-directed drug design: Searches of the Cambridge Structural Database for bond lengths in molecular fragments to be used for automated structure assembly.

P.-L. Chau, Philip M. Dean

J. Comput. Aided Mol. Des., 1992

Automated site-directed drug design: The generation of a basic set of fragments to be used for automated structure assembly.

P.-L. Chau, Philip M. Dean

J. Comput. Aided Mol. Des., 1992

1991

Molecular structure matching by simulated annealing. IV. Classification of atom correspondences in sets of dissimilar molecules.

M. C. Papadopoulos, P. M. Dean

J. Comput. Aided Mol. Des., 1991

Molecular structure matching by simulated annealing. III. The incorporation of null correspondences into the matching problem.

M. T. Barakat, P. M. Dean

J. Comput. Aided Mol. Des., 1991

1990

Molecular structure matching by simulated annealing. II. An exploration of the evolution of configuration landscape problems.

M. T. Barakat, P. M. Dean

J. Comput. Aided Mol. Des., 1990

Molecular structure matching by simulated annealing. I. A comparison between different cooling schedules.

M. T. Barakat, P. M. Dean

J. Comput. Aided Mol. Des., 1990