Variation in the pH-dependant pre-steady state and steady state kinetic characteristics of cysteine proteinase mechanism. Evidence for eletrostatically-modulation of ctaytic function by the neighbouring carboxylate  S. Hussain, S. Pinitglang, T. S. F. Bailey, J. D. Reid, M. A. Noble, M. Resmini, E. W. Thomas, R. B. Greaves, C. S. Verma, K. Broklehurst.Biochem J 372 735-746 (2003).

 

Primary and 3-D modeled structures of two cyclotides from Viola odorata  Primary and 3-d modelled structures of two cyclotides from Viola odorata. Erika Svangårda, U.Göransson, D.Smith,C.Verma,A. Backlund, L. Bohlin, P. Claeson Phytochemistry 64 135-142 2003)

 

 Inherent flexibility of calmodulin domains: a normal mode analysis study: N. P. Barton, C. S. Verma & L. S. D. Caves  J. Phys. Chem. B (2003)

 

The 2.0A resolution crystal structure of 6-oxo camphor hydrolase reveals unexpected structural diversity n the crotonase superfamily G. Grogan, J. L. Whittingham, J. P. Turkenberg, C. S. Verma, M. Walsh J. Biol. Chem. 278 1744-1750 (2003)

 

Computational studies of transesterification of sugars using subtilisins: importance of entropic effects G. Fuentes, M. A. Cruces, F. J. Plou, A. Ballesteros & C. S. Verma ChemBioChem 3 907-910 (2002)

 

Crystallographic investigation of the role of aspartate 95 in the modulation of the redox potentials of Desulfovibrio vulgaris flavodoxin A. A. McCarthy, M. A. Walsh, M. Reinhold, C. S. Verma, D. P. O’Connell, G. N. Yalloway, D. d’Arcy, T. M. Higgins, G. Voordouw, & S. G. Mayhew.Biochemistry 41 10950-10962 (2002)

 

Crystal structure of human insulin-like growth factor at 2.0A resolution: structural origins of hIGF-I and insulin functional divergence A. M. Brzozowski, F. De Beer, E. J. Dodson, G. G. Dodson, G. N. Murschudov, C. S. Verma, J. P. Turkenberg & Z. Dauter. Biochemistry 41 9389-9397 (2002)

 

The crystal structure of the AAA domain of the ATP-dependant protease FtsH of Eschericia Coli at 1.5A resolution S. Krzywda, A. M. Brzozowski, C. Verma, K. Karata, T. Ogura & A. J. Wilkinson Structure 10 1073-1083 (2002)

 

Protein hydration water: structure and thermodynamics J. C. Smith, F. Merzel, C. S. Verma & S. Fischer J. Mol. Liq 101 27-33 (2002)

 

 

Molecular dynamics simulations of Rnase-Sa: a window complementary to NMR/Xray R. Dvorsky, J. Sevcik, V. Hornak, G.P.Tyrrell, L.S.D.Caves & C.S.Verma. J. Phys. Chem B 106 6038-6048 (2002)

 

 

Congruent behaviour of complete and reconstructed phase space trajectories from biomolecular dynamics simulation L.S.D.Caves & C.S.Verma Proteins: Str Fn Gen 47 25-30 47 25-30 (2002)

 

 

Dissecting the vibrational entropy change on protein/ligand binding: burial of a water molecule in bovine pancreatic trypsin inhibitor S. Fischer, J. Smith & C. S. Verma J Phys Chem B  105 8050-8055 (2001)

 

 

Variation in aspects of cysteine proteinase catalytic mechanism deduced by spectroscopic obseravtion of dithioester intermediates, kinetic analysis and molecular dynamics simulations J. Reid, S. Hussain, S. Srredharan, T. Bailey, S. Pinitglang, E. Thomas, C. Verma & K. Brocklehurst. Biochem J 357 343-352 (2001)

 

Probing the mechanism of ATP hydrolysis and substrate translocation in the AAA protease FtsH by mutagenesis and modeling K. Karata, C. S. Verma, A. J. Wilkinson & T. Ogura Molecular Microbiology 39 890-903 (2001)

 

Crystal structure of GerE, the ultimate transcriptional regulator of spore formation in Bacillus subtilis. V.M.A. Ducros, R..J. Lewis, C.S.Verma, E.J.Dodson, G.Leonard, J.P.Turkenberg, G.N.Murshudov, A.J.Wilkinson & J.A.Brannigan J. Mol. Biol. 306, 759-771 (2001)

 

The mechanism of ice binding by type III antifreeze proteins A. A. Antson, D. J. Smith, D. I. Roper, S. Lewis, L. S. D. Caves, C. S. Verma, S. L. Buckley, P. J. Lillford & R. E. Hubbard. J. Mol. Biol. 305, 875-889 (2001)

 

Temperature effects on protein motions: a molecular dynamics study of Rnase-Sa R. Dvorsky, J. Sevcik, L.S.D. Caves & C. S. Verma.J Phys Chem B 104 10387-10397 (2000)

 

Structural origins of the interfacial activation in Thermomyces (Humicola) lanuginosa lipase A.M. Brzozowski, H. Savage, C. S. Verma, J. P. Turkenburg, D. M. Lawson, A. Svendsen & S. Patkar Biochemistry 39 15071-15082 (2000).

 

Structure of a slow processing precursor penicillin acylase from Escherichia Coli revelas the linker peptide blocking the active site cleft L. Hewitt, V. Kasche, K. Lummer, R. J. Lewis, G. N. Murshudov, C. S. Verma, G. G. Dodson & K. Wilson.. J. Mol. Biol 302 887-898 (2000)

 

The ionization characteristics and chemical influences of D158 of papain and caricain determined by structure-related kinetic and computational techniques: multiple electrostatic modulators of active centre chemistry. M. A. Noble, S. Gul, C. S. Verma & K. Brocklehurst. Biochemical Journal 351, 723-733 (2000).

 

Binding of buried water increases the flexibility of proteins. S. Fischer & C. S. Verma.Proc. Nat. Acad. Sci USA 96, 9613-9615 (1999).

 

Structural consequences of the B5 His->Tyr mutation in human insulin characterized by X-ray crystallography and conformational analysis. L. Tang, J. L. Whittingham, C. S. Verma, L. S. D. Caves & G. G. Dodson. Biochemistry 38, 12041-12051 (1999).

 

Disulphide swapping in human insulin-like growth factor: implications for receptor binding. R. Gill, C. Verma, B. Wallach, , B. Urso, J. Pitts, A. Wollmer, P. Demeyts & S. Woods. Protein Engg  12, 297-303 (1999))

 

Penicillin V Acylase crystal structure reveals new Ntn-hydrolase family members. C. G. Suresh, A. V. Pundle, H. SivaRaman, K. N. Rao, J. A. Brannigan, C. McVey, C. S. Verma, Z. Dauter, E. J. Dodson,& G. G. Dodson.Nature Structural Biology 6, 414-416 (1999)

 

Identifying key electrostatic interactions in Rhizomucor miehei lipase: the role of solvent dielectric. S. Jääskeläinen, C. S. Verma, L. S. D. Caves & R. E. Hubbard. Theoretical Chemistry Accounts 101, 175-179 (1999).

 

The crystal structure of the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia at 1.7A resolution J. H. Ullah, T. R. Walsh, I. A. Taylor, D. C. Emery, C. S. Verma, S. J. Gamblin & J. Spencer  J. Mol. Biol. 284, 125-136 (1998).

 

Probing the conformational change in the activation of lipase S. Jääskeläinen, C. S. Verma, R. E. Hubbard, P. Linko & L. S. D. Caves.Protein Science, 7, 1359-1367 (1998).

 

Rotation of buried water inside a protein: calculation of the rate and vibrational entropy of activation S. Fischer, C. S. Verma & R. E. Hubbard Journal of Physical Chemistry B, 102, 1797-1805  (1998).

 

A classical enzyme active centre motif lacks catalytic competence until modulated electrostatically. S. Pinitglang, A. B. Watts, M. Patel, J. D. Reid, M. A. Noble, S. Gul, A. Bokth, A. Naeem, H. Patel, E. W. Thomas, S. K. Sreedharan, C. Verma & K. Brocklehurst. Biochemistry, 36, 9968-9982 (1997).

 

Characterisation of the hydrolytic activity of a polyclonal catalytic antibody preparation by pH-dependence and chemical modification studies. Evidence for the involvement of Tyr and Arg sidechains as hydrogen bond donors. M. Resmini, R. Vigna, C. Simms, N. J. Barber, E. P. Hagi-Pavli, A. B. Watts, C. Verma, G. Gallacher & K. Brocklehurst. Biochemical Journal, 326, 279-287 (1997).

 

Domain motions in dihydrofolate reductase: a molecular dynamics study C. S. Verma, L. S. D. Caves, R. E. Hubbard & G. C. K. Roberts.Journal of Molecular Biology, 266, 776-796 (1997).

 

Characterization of the electrostatic perturbation of a catalytic site (Cys)-S-/(His)-Im(+)H ion-pair in one type of serine proteinase architecture by kinetic and computational studies on chemically mutated subtilisin variants. J. Plou, D. Kowlessur,  J. P. G. Malthouse, G. W. Mellor, M. J. Hartshorn, S. Pinitglang, H. Patel, C. M. Thomas, E. W. Thomas, C. Verma & K. Brocklehurst. Journal of Molecular Biology, 257, 1088-1111 (1996).

 

Engineering the C-region of human Insulin-like Growth Factor-I - implications for receptor binding. R. Gill, B. Wallach, C. Verma, B. Urso, E. Dewolf, J. Grotzinger, J. MurrarRust, J. Pitts, A. Wollmer, P. Demeyts & S. Woods. Protein Engineering, 9, 1011-1019 (1996).

 

Demonstration that 1-trans-epoxysuccinyl-L-leucylamido-(4-guanidino)butane (E-64) is one of the most effective low (Mr) inhibitors of trypsin-catalyzed hydrolysis. Characterization by kinetic analysis and by energy minimization and moelcular dynamics simulation of the E64-b-trypsin complex.  K. Sreedharan, C. Verma, L. S. D. Caves, S. M. Brocklehurst, S. E. Gharbia, H. N. Shah & K.Brocklehurst. Biochemical Journal, 316, 777-786 (1996).

 

Calculation of the reaction pathway for the aromatic ring flip in methotrexate complexed to dihydrofolate reductase. C. S. Verma, S. Fischer, L. S. D. Caves, G. C. K. Roberts & R. E. Hubbard. Journal of Physical Chemistry, 100, 2510-2518 (1996).

 

The structural origins of the unusual specificities observed in the isolation of chymopapain-M and actinidin by covalent chromatography and the lack of inhibition of chymopapain-M by cystatin. P. Thomas, C. Verma, S. M. Boyd & K. Brocklehurst. Biochemical Journal, 306, 39-46 (1995).

 

Probing the nature of substrate binding in Humicola Lanuginosa lipase through X-ray crsytallographic and intuitive modelling. M. Lawson, A. M. Brozozowski, S. Rety, C. Verma & G. G. Dodson. Protein Engineering, 7, 543-550 (1994).

 

Kinetic recognition of the 5'-phosphate group in the attack of cisplatin type systems on DNA. C. S. Verma, M. Green & R. M. Wing. Journal of the Chemical Society - Chemical Communications. 884-886 (1988).

 

General discussion D. G. Truhlar, W. L. Jorgensen, M. T. Nguyen, J. B. Anderson, D. Chandler, S. HammesSchiffer, P. G. Bolhuis, I. H. Hillier, C. Dellago, J. N. L. Connor, M. V. Basilevsky, J. C. Tully, J. M. Bowman, E. M. Goldfield, G. Katz, T. J. Martinez, W. Jakubetz, H. W. Schranz, K. J. Schulten, M. Sprik, G. C. Schatz, J. T. Hynes, I. H. Williams, P. R. Taylor, C. S. Verma, A. Lagana, K. Morokuma, C. Trindle, H. F. Schaefer, N. A. Burton & L. Blancafort Faraday  Disscn., 110, 477-520  (1999).

 

Senistivities of transition state geometries to P1-P2 binding in reactions of papain and actinidin. S. Gul, S. Pinitglang, E. W. Thomas, C. Verma & K. Brocklehurst.Biochemical Society Transactions 26, S171 (1998).

 

The kinetically influential ionizations of caricain D158N revealed by using 4,4’-dipyrimidyl disulfide as a reactivity probe. A. Khan, I. F. Connerton, N. J. Cummins, S. Hussain, M. A. Noble, M. A. J. Taylor, E. W. Thomas, C. Verma & K. Brocklehurst. Biochemical Society Transactions 26, S172 (1998).

 

Design and synthesis of substrate-derived N-acylaminoalkyl 2-pyridyl disulphides as probes of cysteine proteinase mechanism. K. Brocklehurst, E. W. Thomas, C. Verma, M. Patel & S. K. Sreedharan Biochemical Society Transactions 25, 92S (1997).

 

Investigation of the electrostatic field of the papain active centre by using monoprotonated and diprotonated pyridyl (pY) disulphides as reactivity probes. S. Gul, A. Clarke, B. Field, M. P. Thomas, F. Willenbrock, S. Pinitglang, C. Verma, E. W. Thomas & K. Brocklehurst. Biochemical Society Transactions 25, 91S (1997).

 

Evidence that the carboxy groups of Asp158 in papain and caricain have abnormally low pKa values and thus do not contribute the key ionisations with pKa 4 that generate catalytic competence. M. Noble, D. Abramson, C. Verma & K. Brocklehurst. Biochemical Society Transactions 25, 90S (1997).

 

Actinidin and chymopapain B provide variation in the common electrostatic environment of Glu50 in papain and caricain. B. Reid, S. Pinitglang, C. P. Thomas, C. Verma, E. W. Thomas & K. Brocklehurst. Biochemical Society Transactions, 25, 89S (1997).

 

Effects of the quality of the P2-S2 hydrophobic contacts on the catalytic activities of papain, caricain and ficin and their generation by electrostatic switches. S. Pinitglang, M. Patel, M. Noble, S. K. Sreedharan, C. Verma, E. W. Thomas & K. Brocklehurst. Biochemical Society Transactions, 25, 88S (1997).

 

Effects of site-specific mutatons on the kinetically influential ionisations of papain. A Watts, A. Hafeez, S. Gul, C. Verma & K. Brocklehurst. Biochemical Society Transactions, 25, 84S (1997).

 

Investigation of electrostatic interactions and binding effects in papain-ligand interaction. S. Gul, P. S. Dhillon, C. Verma, E. W. Thomas & K. Brocklehurst. Biochemical Society Transactions 24, 473S (1996).

 

Studies on the enhancement of the reactivity of the Cys25-S-/His159-Im+H ion-pair of papain by deprotonation across pKa 4. S. Pinitglang, M. Noble, C. Verma, E. W.  Thomas & K. Brocklehurst. Biochemical Society Transactions 24, 468S (1996).

 

Rates of reaction of Guanosine derivatives with cis-[pt(NH3)2(OH2)2] & cis-[Pt(NH3)2(OH2)(OH)]. M. Green, S. S. Eapen, D. J. Evans, K. Percival, C. Verma & R. M. Wing.Recueil Des Travaux Chimiques des Pays-Bas 106, 194 (1987).