W. Richards

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Aliases
W Graham Richards, W. G Richards, W G Richards, W.graham Richards, William Graham Richards, William Richards, W. Graham Richards, W. G. Richards
Publication record
245 papers · 4,837 citations · H-index 36

PAPERS

New Methods for the Synthesis of Novel Triazoles as Ligands and Potential Drugs
20191 citationsauthor #1
Prospective virtual screening with Ultrafast Shape Recognition: the identification of novel inhibitors of arylamine N-acetyltransferases
201068 citationsauthor #5
Theoretical Calculation of Partition Coefficients
20080 citationsauthor #1
From diatomics to drugs and dividends.
20076 citationsauthor #1
Ultrafast shape recognition for similarity search in molecular databases
200785 citationsauthor #2
3D‐QSAR Analysis of the Binding of Triazine Herbicides to a Monoclonal Antibody
20071 citationsauthor #4
A Multiparent Version of the Parent-Centric Normal Crossover for Multimodal Optimization
20064 citationsauthor #2
Diketoacid HIV-1 integrase inhibitors: An ab initio study.
200517 citationsauthor #2
From diatomics to drugs and distributions
20051 citationsauthor #1
2004 American Chemical Society Award for Computers in Chemical and Pharmaceutical Research. From diatomics to drugs and distributions.
20050 citationsauthor #1
Evaluation of structural similarity based on reduced dimensionality representations of protein structure.
20047 citationsauthor #3
Theoretical studies on the deacylation step of serine protease catalysis in the gas phase, in solution, and in elastase.
200438 citationsauthor #2
Combating bioterrorism with personal computers.
20041 citationsauthor #1
Development of polarizable force fields and hybrid QM/MM methods for the study of reaction mechanisms
20030 citationsauthor #1
Calculation of Protein Domain Structural Similarity Using Two‐Dimensional Representations.
20030 citationsauthor #3
A process for the identification of binding sites with a "multi-scale approach"
20030 citationsauthor #2
Calculation of Protein Domain Structural Similarity Using Two-Dimensional Representations
20031 citationsauthor #3
Docking of flexible molecules using multiscale ligand representations.
200223 citationsauthor #3
Explicit Calculation of 3D Molecular Similarity
200227 citationsauthor #2
Pinpointing anthrax-toxin inhibitors
200215 citationsauthor #3
A density functional study of the interconversion of carbonyls and alcohols in the solution: Comparison of reaction mechanisms involving NADPH, histidine, and tyrosine.
20013 citationsauthor #2
Molecular structure and gas-phase reactivity of clonidine and rilmenidine : Two-layered ONIOM calculations
200121 citationsauthor #3
Similarity Calculations Using Two-Dimensional Molecular Representations
20019 citationsauthor #3
Theoretical Study of Molecular Structure, Tautomerism, and Geometrical Isomerism of Moxonidine: Two-Layered ONIOM Calculations
200130 citationsauthor #3
Ab initio and DFT study of molecular structure and tautomerism of 2-amino-2-imidazoline, 2-amino-2-oxazoline and 2-amino-2-thiazoline
200132 citationsauthor #3
Molecular structure and gas-phase reactivity of zileuton and its N-dehydroxylated metabolite: two-layered ONIOM calculations
20009 citationsauthor #3
Partial Molecular Alignment via Local Structure Analysis
200015 citationsauthor #3
QSAR and molecular graphics analysis of N2-phenylguanines as inhibitors of herpes simplex virus thymidine kinases.
20006 citationsauthor #2
Pattern recognition techniques in molecular similarity
19991 citationsauthor #1
Alignment of 3D‐Structures by the Method of 2D‐Projections.
19991 citationsauthor #3
Alignment of 3D-Structures by the Method of 2D-Projections
199912 citationsauthor #3
Molecular structure, gas-phase acidity and basicity of N-hydroxyurea
199941 citationsauthor #3
Macromolecular Modelling on the Cray T3D
19991 citationsauthor #5
The use of molecular similarity indices in the determination of a bioactive conformation
19982 citationsauthor #2
Calculations on the substrates of citrate synthase I. Oxaloacetate
199815 citationsauthor #3
Theoretical studies of the intercalation of 9-hydroxyellipticine in DNA.
199820 citationsauthor #3
Prediction of the binding mode of N2-phenylguanine derivative inhibitors to herpes simplex virus type 1 thymidine kinase
19989 citationsauthor #3
The Utilization of Reduced Dimensional Representations of Molecular Structure for Rapid Molecular Similarity Calculations
199715 citationsauthor #3
Reduced Dimensional Representations of Molecular Structure
199730 citationsauthor #3
Reduced molecular representations and their role in protein structure prediction
19973 citationsauthor #2
First Molecular Graphics and Modelling Society Electronic Conference.
19974 citationsauthor #4
Alignment of molecules by the Monte Carlo optimization of molecular similarity indices
199741 citationsauthor #4
Solvation effects
19978 citationsauthor #1
Mechanism of action of antifreeze polypeptide HPLC6 in solution: analysis of solvent behaviour by molecular dynamics
199617 citationsauthor #4
A one-dimensional representation of protein structure.
19963 citationsauthor #2
Molecular Parameterisation and the Theoretical Calculation of Electrode Potentials
19963 citationsauthor #2
The Extension and Application of Molecular Similarity Calculations to Drug Design
19968 citationsauthor #2
SOLIDS AND BIOPOLYMERS
19950 citationsauthor #2
Molecular Dynamics of the Ha-ras Protein: Nucleotide Atom-Centred Charges within the AMBER Force Field
199513 citationsauthor #3
Molecular similarity and dissimilarity
19957 citationsauthor #1
Computational Chemistry
199539 citationsauthor #2
DETERMINATION OF PARTITION FUNCTIONS
19951 citationsauthor #2
EQUILIBRIA AND RATES OF REACTION
19950 citationsauthor #2
LOW-TEMPERATURE PHENOMENA
19950 citationsauthor #2
DISTRIBUTIONS AND THERMODYNAMICS
19950 citationsauthor #2
THERMODYNAMICS AND SPECTROSCOPY
19950 citationsauthor #2
Energy Levels in Atoms and Molecules
19951 citationsauthor #1
Insights into Chorismate Mutase Catalysis from a Combined QM/MM Simulation of the Enzyme Reaction
1995111 citationsauthor #3
A novel representation of protein structure.
199510 citationsauthor #2
Behavior of cholesterol and its effect on head group and chain conformations in lipid bilayers: a molecular dynamics study.
1995109 citationsauthor #2
Molecular modelling: drugs by design.
19943 citationsauthor #1
Molecular similarity, quantitative chirality, and QSAR for chiral drugs.
199440 citationsauthor #3
Calculation of the tautomer ratio of histamine in aqueous solution using free energy perturbation methods : an in-depth study
199419 citationsauthor #2
Head group and chain behavior in biological membranes: a molecular dynamics computer simulation.
199458 citationsauthor #2
Molecular dynamics simulation of a hydrated phospholipid bilayer.
199454 citationsauthor #3
Relative hydration free energies of nucleic acid bases
199323 citationsauthor #2
Theoretical Calculation of a Solution Phase Torsional Free Energy Profile. π-Ethylimidazole in Water
19932 citationsauthor #3
Application of Neural Networks: Quantitative Structure-Activity Relationships of the Derivatives of 2,4-Diamino-5-(substituted-benzyl) pyrimidines as DHFR Inhibitors.
199316 citationsauthor #2
QSAR's from similarity matrices. Technique validation and application in the comparison of different similarity evaluation methods.
199317 citationsauthor #3
Chiral drug potency: Pfeiffer's rule and computed chirality coefficients
199326 citationsauthor #2
Pterin 1H–3H tautomerism and its possible relevance to the binding of folate to dihydrofolate reductase
19939 citationsauthor #3
Simulation of a hydrated lipid bilayer
19930 citationsauthor #3
Rapid evaluation of shape similarity using Gaussian functions
1993104 citationsauthor #2
Application of neural networks: quantitative structure-activity relationships of the derivatives of 2,4-diamino-5-(substituted-benzyl)pyrimidines as DHFR inhibitors.
1992141 citationsauthor #2
Theoretical determination of partition coefficients
199252 citationsauthor #3
Utilization of Gaussian functions for the rapid evaluation of molecular similarity
1992146 citationsauthor #3
A molecular dynamics simulation of a polyamine-induced conformational change of DNA. A possible mechanism for the B to Z transition.
199221 citationsauthor #3
Theoretical calculation of electrode potentials: Electron‐withdrawing compounds
199241 citationsauthor #3
Methods for determining the reliability of semiempirical electrostatic potentials and potential derived charges
199224 citationsauthor #3
Similarity screening of molecular data sets
199232 citationsauthor #3
Errors in free-energy perturbation calculations due to neglecting the conformational variation of atomic charges
199234 citationsauthor #3
A Linear Molecular Similarity Index
199228 citationsauthor #3
Similarity of molecular shape
199182 citationsauthor #2
Conference papers from the molecular graphics society workshop on Desktop molecular visualization
19910 citationsauthor #1
The study of peptide bond isosteres using molecular similarity
199112 citationsauthor #3
Free Energy Calculations of Pharmaceutically Important Properties
19909 citationsauthor #5
The theoretical calculation of basicities: an homologous amine series
19908 citationsauthor #3
A QUANTUM CHEMICAL STUDY OF STRUCTURE-ACTIVITY RELATIONSHIPS OF DIHYDROPYRIDINE CALCIUM ANTAGONISTS
19906 citationsauthor #2
Histamine tautomerism and its mode of action.
199015 citationsauthor #3
The application of molecular similarity calculations
1990109 citationsauthor #2
Relative partition coefficients from partition functions: a theoretical approach to drug transport
198925 citationsauthor #3
Theoretical calculation of tautomer equilibria in solution: 4-(5-)methylimidazole.
198932 citationsauthor #3
Rational drug design: binding free energy differences of carbonic anhydrase inhibitors
198910 citationsauthor #3
The oxidation potential of 1,4-diaminobenzene: Calculation versus experiment
198935 citationsauthor #4
Semiempirical AM1 electrostatic potentials and AM1 electrostatic potential derived charges: A comparison with ab initio values
1989130 citationsauthor #3
Accurate redox potentials from theoretical calculations: methyl-substituted benzoquinones
198822 citationsauthor #3
Calculation of NH...pi hydrogen bond energies in basic pancreatic trypsin inhibitor.
19882 citationsauthor #3
Hydrogen-bonded complexes involving benzene as an hydrogen acceptor
198865 citationsauthor #4
Prediction of selective bioreductive anti-tumour, anti-folate activity using a modified ab initio method for calculating enzyme–inhibitor interaction energies
19888 citationsauthor #2
Computed redox potentials and the design of bioreductive agents
198870 citationsauthor #3

TIMELINE

1964 36 citations

1966 78 citations

1967 166 citations

1968 56 citations

1969 126 citations

1970 155 citations

1971 136 citations

1972 161 citations

1973 172 citations

1974 138 citations

1975 180 citations

1976 20 citations

1977 25 citations

1978 3 citations

1979 10 citations

1980 43 citations

1981 134 citations

1982 69 citations

1983 15 citations

1984 40 citations

1985 74 citations

1986 219 citations

1987 290 citations

1988 185 citations

1989 232 citations

1990 147 citations

1991 94 citations

1992 519 citations

1993 197 citations

1994 174 citations

1995 291 citations

1996 31 citations

1997 101 citations

1998 46 citations

1999 56 citations

2000 30 citations

2001 95 citations

2002 65 citations

2003 1 citations

2004 46 citations

2005 18 citations

2006 4 citations

2007 92 citations

2008 0 citations

2010 68 citations

2019 1 citations

W. Richards

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