H. van de Waterbeemd

发表

ADMET in silico modelling: towards prediction paradise?

H. van de Waterbeemd, E. Gifford, 2003, Nature reviews. Drug discovery.

Property-based design: optimization of drug absorption and pharmacokinetics.

H. van de Waterbeemd, D. Smith, K. Beaumont, 2001, Journal of medicinal chemistry.

Glossary of terms used in computational drug design (IUPAC Recommendations 1997)

G. Grassy, M. S. Tute, P. Willett, 1997 .

Predicting oral absorption and bioavailability.

Barry C Jones, H. van de Waterbeemd, B. Jones, 2003, Progress in medicinal chemistry.

Pharmacokinetics and metabolism in early drug discovery.

D A Smith, H. van de Waterbeemd, D. Smith, 1999, Current opinion in chemical biology.

Biosensor analysis of the interaction between drug compounds and liposomes of different properties; a two-dimensional characterization tool for estimation of membrane absorption.

H. van de Waterbeemd, M. Hämäläinen, R. Karlsson, 2005, Journal of pharmaceutical sciences.

The fundamental variables of the biopharmaceutics classification system (BCS): a commentary.

H. van de Waterbeemd, 1998, European Journal of Pharmaceutical Sciences.

L‐Dopa Methyl Ester—A Candidate for Chronic Systemic Delivery of L‐Dopa in Parkinson's Disease

C. Marsden, H. van de Waterbeemd, B. Testa, 1984, Clinical neuropharmacology.

Development of quantitative structure-pharmacokinetic relationships.

H. van de Waterbeemd, H van de Waterbeemd, J M Mayer, 1985, Environmental health perspectives.

The thermodynamics of agonist and antagonist binding to dopamine D-2 receptors.

C. Marsden, H. van de Waterbeemd, B. Testa, 1986, Molecular pharmacology.

Theoretical conformational studies on some dopamine antagonistic benzamide drugs: 3-pyrrolidyl- and 4-piperidyl derivatives.

H. van de Waterbeemd, B. Testa, 1983, Journal of medicinal chemistry.

Modeling of beta-adrenoceptors based on molecular electrostatic potential studies of agonists and antagonists.

P. Carrupt, H. van de Waterbeemd, B. Testa, 1988, Journal of medicinal chemistry.

Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs' lipophilicity and molecular weight.

G Folkers, H. van de Waterbeemd, G. Folkers, 1998, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Estimation of blood-brain barrier crossing of drugs using molecular size and shape, and H-bonding descriptors.

J R Chretien, G Folkers, H. van de Waterbeemd, 1998, Journal of drug targeting.

The prediction of the lipophilicity of peptidomimetics. A comparison between experimental and theoretical lipophilicity values of renin inhibitors and their building blocks.

H. van de Waterbeemd, H. Karajiannis, 1995, Pharmaceutica acta Helvetiae.

The binding of agonists and antagonists to rat lung beta-adrenergic receptors as investigated by thermodynamics and structure-activity relationships.

H. van de Waterbeemd, B. Testa, J. Tillement, 1986, Journal of receptor research.

Passive lipoidal diffusion and carrier-mediated cell uptake are both important mechanisms of membrane permeation in drug disposition.

Li Di, Manfred Kansy, Kiyohiko Sugano, 2014, Molecular pharmaceutics.

Review of theoretical passive drug absorption models: historical background, recent developments and limitations.

G Folkers, H. van de Waterbeemd, G. Folkers, 1996, Pharmaceutica acta Helvetiae.

Improving compound quality through in vitro and in silico physicochemical profiling.

H. van de Waterbeemd, 2009, Chemistry & biodiversity.

Utility of human/human-derived reagents in drug discovery and development: An industrial perspective.

H. van de Waterbeemd, B. Jones, R. Hyland, 2006, Environmental toxicology and pharmacology.

Quantitative structure-activity relationships and eudismic analyses of the presynaptic dopaminergic activity and dopamine D2 and sigma receptor affinities of 3-(3-hydroxyphenyl)piperidines and octahydrobenzo[f]quinolines.

N el Tayar, B Testa, H. van de Waterbeemd, 1987, Journal of medicinal chemistry.

Do thermodynamic studies provide information on both the binding to and the activation of dopaminergic and other receptors?

C. Marsden, H. van de Waterbeemd, B. Testa, 1987, Biochemical pharmacology.

Molecular electrostatic potential of orthopramides: implications for their interaction with the D-2 dopamine receptor.

B Testa, P. Carrupt, H. van de Waterbeemd, 1986, Journal of medicinal chemistry.

Shapes of membrane permeability-lipophilicity curves: extension of theoretical models with an aqueous pore pathway.

G Folkers, H. van de Waterbeemd, G. Folkers, 1998, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Can the Internet help to meet the challenges in ADME and e-ADME?

H. van de Waterbeemd, M. D. de Groot, H Van de Waterbeemd, 2002, SAR and QSAR in environmental research.

From in vivo to in vitro/in silico ADME: progress and challenges

H. van de Waterbeemd, Han Van de Waterbeemd, 2005, Expert opinion on drug metabolism & toxicology.

Prediction of oral bioavailability by adaptive fuzzy partitioning.

Marco Pintore, Nadège Piclin, Jacques R Chrétien, 2003, European journal of medicinal chemistry.

QSAR of nortropane-substituted benzamides: use of lipophilic (RP-HPLC) and electronic (1H NMR) parameters

H. van de Waterbeemd, B. Testa, H. Waterbeemd, 1989 .

Stereoelectronic study of zetidoline, a dopamine D2 receptor antagonist.

P. Carrupt, H. van de Waterbeemd, B. Testa, 1989, Journal of medicinal chemistry.

Which in vitro screens guide the prediction of oral absorption and volume of distribution?

H. van de Waterbeemd, Han van de Waterbeemd, 2005, Basic & clinical pharmacology & toxicology.