Design and Synthesis of 56 Shape-Diverse 3D Fragments.

Thomas D. Downes , S. Paul Jones , Hanna F. Klein , Mary C. Wheldon
Chemistry: A European Journal 26 ( 41) 8969 -8975

9
2020
1H, 13C, 15N backbone and IVL methyl group resonance assignment of the fungal β-glucosidase from Trichoderma reesei.

Eleni Makraki , Marta G. Carneiro , Alex Heyam , A. B. Eiso
Biomolecular Nmr Assignments 14 ( 2) 265 -268

2
2020
Fragment‐Based Ligand Discovery

Ben J. Davis , Roderick E. Hubbard
Structural Biology in Drug Discovery 79 -98

2020
Fragment screening by weak affinity chromatography: comparison with established techniques for screening against HSP90.

Elinor Meiby , Heather Simmonite , Loic le Strat , Ben Davis
Analytical Chemistry 85 ( 14) 6756 -6766

45
2013
The solution structure of echistatin: evidence for disulphide bond rearrangement in homologous snake toxins.

Robert M. Cooke , Brian G. Carter , Peter Murray-Rust , Michael J. Hartshorn
Protein Engineering 5 ( 6) 473 -477

42
1992
Model structures and action of interleukin 1 and its antagonist

Thomas J. Oldfield , Peter Murray-Rust , Roderick E. Hubbard
Protein Engineering 6 ( 8) 865 -871

8
1993
Relating structure to thermodynamics: the crystal structures and binding affinity of eight OppA-peptide complexes.

Thomas G. Davies , Roderick E. Hubbard , JEREMY R.H. Tame
Protein Science 8 ( 7) 1432 -1444

57
1999
Adenine derived inhibitors of the molecular chaperone HSP90-SAR explained through multiple X-ray structures.

Brian Dymock , Xavier Barril , Mandy Beswick , Adam Collier
Bioorganic & Medicinal Chemistry Letters 14 ( 2) 325 -328

54
2004
Comparative Assessment of Different Histidine-Tags for Immobilization of Protein onto Surface Plasmon Resonance Sensorchips

Marcus Fischer , Andrew P. Leech , Roderick E. Hubbard
Analytical Chemistry 83 ( 5) 1800 -1807

34
2011
Molecular Graphics and Molecular Dynamics

Roderick E. Hubbard
Springer, Berlin, Heidelberg 122 -126

2
1987
Analysis and optimization of structure-based virtual screening protocols: (3). New methods and old problems in scoring function design

Ryan Smith , Roderick E. Hubbard , Daniel A. Gschwend , Andrew R. Leach
Journal of Molecular Graphics & Modelling 22 ( 1) 41 -53

26
2003
Modeling of the three-dimensional structure of the human melanocortin 1 receptor, using an automated method and docking of a rigid cyclic melanocyte-stimulating hormone core peptide

Peteris Prusis , Helgi B. Schiöth , Ruta Muceniece , Pawel Herzyk
Journal of Molecular Graphics & Modelling 15 ( 5) 307 -317

67
1997
Tripartite ATP-Independent Periplasmic (Trap) Transporters Use an Arginine-Mediated Selectivity Filter for High Affinity Substrate Binding.

Adam P. Hopkins , Emmanuele Severi , Judith Hawkhead , Daniel Bawdon
Journal of Biological Chemistry 290 ( 45) 27113 -27123

17
2015
Caught in a TRAP: substrate-binding proteins in secondary transport

Marcus Fischer , Qian Yi Zhang , Roderick E. Hubbard , Gavin H. Thomas
Trends in Microbiology 18 ( 10) 471 -478

44
2010
Probing conformational change in activation of enzymes

S. Jääskeläinen , R. Hubbard , C. Verma

1997
Towards predictive ligand design with free-energy based computational methods?

N. Foloppe , R. Hubbard
Current Medicinal Chemistry 13 ( 29) 3583 -3608

142
2006
Structural biology and diabetes mellitus: molecular pathogenesis and rational drug design.

T. Blundell , R. Hubbard , M. A. Weiss
Diabetologia 35 ( 2)

5
1992
The crystal structure of T state Met-haemoglobin

R. Liddington , Z. Derewenda , E. Dodson , G. Dodson
Acta Crystallographica Section A 40

1984