Timothy Clark
Orcid: 0000-0001-7931-4659
According to our database1,
Timothy Clark
authored at least 43 papers
between 1990 and 2024.
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Bibliography
2024
Extended Metadynamics Protocol for Binding/Unbinding Free Energies of Peptide Ligands to Class A G-Protein-Coupled Receptors.
J. Chem. Inf. Model., January, 2024
Determinants of Neutral Antagonism and Inverse Agonism in the β<sub>2</sub>-Adrenergic Receptor.
J. Chem. Inf. Model., 2024
2023
Activation/Deactivation Free-Energy Profiles for the β<sub>2</sub>-Adrenergic Receptor: Ligand Modes of Action.
J. Chem. Inf. Model., October, 2023
General Metadynamics Protocol To Simulate Activation/Deactivation of Class A GPCRs: Proof of Principle for the Serotonin Receptor.
J. Chem. Inf. Model., May, 2023
2019
J. Chem. Inf. Model., 2019
2018
Proceedings of the AMIA 2018, 2018
2017
An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands.
J. Chem. Inf. Model., 2017
Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution.
J. Chem. Inf. Model., 2017
Proceedings of the AMIA 2017, 2017
2016
Can Simulations and Modeling Decipher NMR Data for Conformational Equilibria? Arginine-Vasopressin.
J. Chem. Inf. Model., 2016
2014
J. Cheminformatics, 2014
2013
J. Chem. Inf. Model., 2013
Geospatial site suitability modeling for US department of defense humanitarian assistance projects.
Proceedings of the 10th Proceedings of the International Conference on Information Systems for Crisis Response and Management, 2013
2012
Predicting the Sites and Energies of Noncovalent Intermolecular Interactions Using Local Properties.
J. Chem. Inf. Model., 2012
3D-QSAR Based on Quantum-Chemical Molecular Fields: Toward an Improved Description of Halogen Interactions.
J. Chem. Inf. Model., 2012
2011
2010
Insolubility Classification with Accurate Prediction Probabilities Using a MetaClassifier.
J. Chem. Inf. Model., 2010
J. Comput. Aided Mol. Des., 2010
2009
Sharpening the Toolbox of Computational Chemistry: A New Approximation of Critical <i>F</i>-Values for Multiple Linear Regression.
J. Chem. Inf. Model., 2009
2006
In Silico Prediction of Buffer Solubility Based on Quantum-Mechanical and HQSAR- and Topology-Based Descriptors.
J. Chem. Inf. Model., 2006
2005
J. Chem. Inf. Model., 2005
2004
New Molecular Descriptors Based on Local Properties at the Molecular Surface and a Boiling-Point Model Derived from Them.
J. Chem. Inf. Model., 2004
2003
J. Comput. Chem., 2003
2001
J. Chem. Inf. Comput. Sci., 2001
J. Chem. Inf. Comput. Sci., 2001
2000
J. Chem. Inf. Comput. Sci., 2000
1998
J. Chem. Inf. Comput. Sci., 1998
1997
J. Comput. Chem., 1997
J. Comput. Chem., 1997
VESPA: A new, fast approach to electrostatic potential-derived atomic charges from semiempirical methods.
J. Comput. Chem., 1997
1996
A new method for empirical force field calculations on localized and delocalized carbocations.
J. Comput. Chem., 1996
Electronic publishing and the Web.
Proceedings of WebNet 96, 1996
1994
The Natural Atomic Orbital Point Charge Model for PM3: Multipole Moments and Molecular Electrostatic Potentials.
J. Comput. Chem., 1994
1993
Multicenter point charge model for high-quality molecular electrostatic potentials from AM1 calculations.
J. Comput. Chem., 1993
Molecular orbital studies of enzyme mechanisms. II. Catalytic oxidation of alcohols by liver alcohol dehydrogenase.
J. Comput. Chem., 1993
1990