A reduced representation of proteins for use in restraint satisfaction calculations.

Pawel Herzyk , Rodrick E. Hubbard
Proteins 17 ( 3) 310 -324

15
1993
Where to? : How far can you go?

RoderickE. Hubbard
Journal of Molecular Graphics 10 ( 1) 59 -60

1992
Structure-based drug discovery : an overview

Roderick E. Hubbard
RSC Publishing

60
2006
Drug Discovery フラグメントに基づく創薬

Roderick E. Hubbard
GOR 8 ( 2) 54 -57

2006
Experimental strategies for initiating fragment-based drug discovery using SPR biosensors

Maikel Wijtmans , U. Helena Danielson , Roderick E. Hubbard , Peter O’Brien

2020
Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures

Lisa M. Baker , Anthony Aimon , James B. Murray , Allan E. Surgenor
Communications Chemistry 3 ( 1) 1 -11

13
2020
MTSA--a Matlab program to fit thermal shift data.

Michèle N. Schulz , Jens Landström , Roderick E. Hubbard
Analytical Biochemistry 433 ( 1) 43 -47

23
2013
Structural insights into the mode of action of a pure antiestrogen.

Ashley C.W. Pike , A.Marek Brzozowski , Julia Walton , Roderick E. Hubbard
Structure 9 ( 2) 145 -153

305
2001
Probing linker design in citric acid-ciprofloxacin conjugates.

Stephen J. Milner , Anna M. Snelling , Kevin G. Kerr , Ahmad Abd-El-Aziz
Bioorganic & Medicinal Chemistry 22 ( 16) 4499 -4505

19
2014
Lead-oriented synthesis: Investigation of organolithium-mediated routes to 3-D scaffolds and 3-D shape analysis of a virtual lead-like library

Monique Lüthy , Mary C. Wheldon , Chehasnah Haji-Cheteh , Masakazu Atobe
Bioorganic & Medicinal Chemistry 23 ( 11) 2680 -2694

20
2015
ROTATION OF STRUCTURAL WATER INSIDE A PROTEIN : CALCULATION OF THE RATE AND VIBRATIONAL ENTROPY OF ACTIVATION

Stefan Fischer , Chandra S. Verma , Roderick E. Hubbard
Journal of Physical Chemistry B 102 ( 10) 1797 -1805

27
1998
Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity

Zoltan Szlávik , Levente Ondi , Márton Csékei , Attila Paczal
Journal of Medicinal Chemistry 62 ( 15) 6913 -6924

17
2019
Exploring molecular structure by virtual reality

Michael J. Hartshorn , Pawel Herzyk , Roderick E. Hubbard
Trends in Biotechnology 13 ( 3) 83 -85

2
1995
Experiences in fragment-based lead discovery.

Roderick E. Hubbard , James B. Murray
Methods in Enzymology 493 509 -531

86
2011
Structure of Fab hGR-2 F6, a competitive antagonist of the glucagon receptor.

Lisa M. Wright , A. Marek Brzozowski , Roderick E. Hubbard , Ashley C. W. Pike
Acta Crystallographica Section D-biological Crystallography 56 ( 5) 573 -580

30
2000
Structure of a Cys25-->Ser mutant of human cathepsin S.

Johan P. Turkenburg , Marieke B. A. C. Lamers , A. Marek Brzozowski , Lisa M. Wright
Acta Crystallographica Section D-biological Crystallography 58 ( 3) 451 -455

27
2002
3D structure and the drug-discovery process

Roderick E. Hubbard
Molecular BioSystems 1 391 -406

12
2005
Locating interaction sites on proteins: the crystal structure of thermolysin soaked in 2% to 100% isopropanol.

Andrew C. English , Sarah H. Done , Leo S.D. Caves , Colin R. Groom
Proteins 37 ( 4) 628 -640

98
1999
Twenty years on: the impact of fragments on drug discovery.

Daniel A. Erlanson , Stephen W. Fesik , Roderick E. Hubbard , Wolfgang Jahnke
Nature Reviews Drug Discovery 15 ( 9) 605 -619

760
2016
Biophysics in drug discovery: impact, challenges and opportunities.

Jean-Paul Renaud , Chun-wa Chung , U. Helena Danielson , Ursula Egner
Nature Reviews Drug Discovery 15 ( 10) 679 -698

324
2016