J. A. Grant

发表

A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape

J. A. Grant, M. A. Gallardo, B. T. Pickup, 1996, J. Comput. Chem..

A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction.

J. A. Grant, T. Rush, L. Mosyak, 2005, Journal of medicinal chemistry.

Molecular Shape and Medicinal Chemistry: A Perspective

Ajay N. Jain, Scott P. Brown, A. Good, 2010, Journal of medicinal chemistry.

A Gaussian Description of Molecular Shape

J. A. Grant, B. T. Pickup, 1995 .

Gaussian shape methods

J. A. Grant, B. T. Pickup, 1997 .

Gaussian docking functions.

J. A. Grant, A. Nicholls, F. Brown, 2003, Biopolymers.

A combined iterative and boundary-element approach for solution of the nonlinear Poisson-Boltzmann equation

Harold A. Scheraga, H. Scheraga, J. A. Grant, 1992 .

A simple formula for dielectric polarisation energies: The Sheffield Solvation Model

Barry T. Pickup, C. A. Kitchen, Matthew J. Sykes, 2007 .

Modular, gold-catalyzed approach to the synthesis of lead-like piperazine scaffolds.

J. A. Grant, A. Nelson, T. James, 2013, Organic letters.

Synthesis of tentoxin and related dehydro cyclic tetrapeptides.

J. A. Grant, J. Tam, D. Rich, 1978, The Journal of organic chemistry.

A modular lead-oriented synthesis of diverse piperazine, 1,4-diazepane and 1,5-diazocane scaffolds.

J. A. Grant, S. Warriner, A. Nelson, 2014, Organic & biomolecular chemistry.

4-(Aminoalkyl)-7-hydroxy-2(3H)-indolones, a novel class of potent presynaptic dopamine receptor agonists.

J. W. Wilson, J. A. Grant, J. Hieble, 1983, Journal of medicinal chemistry.

A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape

J. Andrew Grant, Barry T. Pickup, M. A. Gallardo, 1996, J. Comput. Chem..

Design, synthesis and evaluation of a novel series of spiroketals basedon the structure of the antibacterial gyrase inhibitor novobiocin

J. A. Grant, D. Timms, C. Cook, 1997 .

SELECTIVE N-METHYLATION OF DEHYDROAMINO ACIDS AND PEPTIDES

J. A. Grant, J. Tam, D. Rich, 1975 .

General synthesis of didehydroamino-acids and peptides

J. A. Grant, J. Tam, D. Rich, 1974 .

Validation of Poisson-Boltzmann Electrostatic Potential Fields in 3D QSAR: A CoMFA Study on Multiple Datasets

Sharangdhar S. Phatak, J. Andrew Grant, Anthony Nicholls, 2003 .

A smooth permittivity function for Poisson–Boltzmann solvation methods

J. Andrew Grant, Barry T. Pickup, Anthony Nicholls, 2001, J. Comput. Chem..

Nuclear analogues of beta-lactam antibiotics. 4. Total synthesis of bisnorisopenicillins from beta-lactam precursors.

J. A. Grant, R. Hall, W. Huffman, 1978, Journal of medicinal chemistry.

Potent fibrinolysis inhibitor discovered by shape and electrostatic complementarity to the drug tranexamic acid.

J. A. Grant, Jonas Boström, A. Thelin, 2013, Journal of medicinal chemistry.

The Gaussian Generalized Born model: application to small molecules.

J A Grant, J. A. Grant, B. T. Pickup, 2007, Physical chemistry chemical physics : PCCP.

Molecular shape and electrostatics in the encoding of relevant chemical information

J. Andrew Grant, Anthony Nicholls, J. A. Grant, 2005, J. Comput. Aided Mol. Des..

PMFF: Development of a Physics-Based Molecular Force Field for Protein Simulation and Ligand Docking

H. Scheraga, K. Gibson, J. A. Grant, 2020, The Journal of Physical Chemistry B.

NUCLEAR ANALOGUES OF β-LACTAM ANTIBIOTICS. PART 4. TOTAL SYNTHESIS OF BISNORISOPENICILLINS FROM ANTIBACTERIALLY ACTIVE MONOCYCLIC β-LACTAM PRECURSORS

J. A. Grant, R. Hall, W. Huffman, 1978 .

SYNTHESIS OF TENTOXIN AND RELATED DEHYDRO CYCLIC TETRAPEPTIDES

J. A. Grant, J. Tam, D. Rich, 1978 .

Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. 1. Application to neutral molecules as models for polypeptides

Harold A. Scheraga, Kyoung Tai No, H. Scheraga, 1990 .

Small Molecule Shape-Fingerprints

J. Andrew Grant, Barry T. Pickup, Anthony Nicholls, 2005, J. Chem. Inf. Model..

The SAMP1 solvation challenge: further lessons regarding the pitfalls of parametrization.

Anthony Nicholls, Stanislaw Wlodek, J. A. Grant, 2009, The journal of physical chemistry. B.

SAMPL2 and continuum modeling

J. Andrew Grant, Anthony Nicholls, Stanislaw Wlodek, 2010, J. Comput. Aided Mol. Des..

Lingos, Finite State Machines, and Fast Similarity Searching

Roger A. Sayle, J. Andrew Grant, Barry T. Pickup, 2006, J. Chem. Inf. Model..