CHARMM: The biomolecular simulation program
Brooks, B.R, Brooks, C.L. III, Mackerell, A.D. Jr, Nilsson, L, Petrella, R.J, Roux, B, Won, Y, Archontis, G, Bartels, C, Boresch, S, Caflisch, A, Caves, L, Cui, Q, Dinner, A.R, Feig, M, Fischer, S, Gao, J, Hodoscek, M, Im, W, Kuczera, K, Lazaridis, T, Ma, J, Ovchinnikov, V, Paci, E, Pastor, R.W, Post, C.B, Pu, J.Z, Schaefer, M, Tidor, B, Venable, R.M, Woodcock, H.L, Wu, X, Yang, W, York, D.M, Karplus, M
Published in Journal of computational chemistry (30.07.2009)
Published in Journal of computational chemistry (30.07.2009)
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Journal Article
Metal in mesosiderites: Evidence for redox and fractional crystallization
Mayne, R. G., Caves, L., McCoy, T. J., Ash, R. D., McDonough, W. F.
Published in Meteoritics & planetary science (01.09.2023)
Published in Meteoritics & planetary science (01.09.2023)
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Journal Article
20Ne(α,p)23Na studied to constrain type Ia nucleosynthesis
Boomershine, C N, Bardayan, D W, Carmichael, S, Caves, L, Davis, A, deBoer, R J, Gula, A, Howard, K, Kelmar, R, Mitchell, A, Morales, L, Moylan, S, O’Malley, P D, Robertson, D, Stech, E
Published in Journal of physics. Conference series (01.09.2023)
Published in Journal of physics. Conference series (01.09.2023)
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Journal Article
Inherent Flexibility of Calmodulin Domains: A Normal-Mode Analysis Study
Barton, N. P, Verma, C. S, Caves, L. S. D
Published in The journal of physical chemistry. B (24.10.2002)
Published in The journal of physical chemistry. B (24.10.2002)
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Journal Article
Inherent Flexibility of Calmodulin Domains: A Normal-Mode Analysis Study
Barton, N. P, Verma, C. S, Caves, L. S. D
Published in The journal of physical chemistry. B (06.03.2003)
Published in The journal of physical chemistry. B (06.03.2003)
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Journal Article
20 Ne(α,p) 23 Na studied to constrain type Ia nucleosynthesis
Boomershine, C N, Bardayan, D W, Carmichael, S, Caves, L, Davis, A, deBoer, R J, Gula, A, Howard, K, Kelmar, R, Mitchell, A, Morales, L, Moylan, S, O’Malley, P D, Robertson, D, Stech, E
Published in Journal of physics. Conference series (01.09.2023)
Published in Journal of physics. Conference series (01.09.2023)
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Journal Article
High energy crystal field excitations in Pr x Y1−x Ba2Cu3O7−δ
Boothroyd, A T, Caves, L W, McK Paul, D, Osborn, R
Published in Bulletin of materials science (01.06.1991)
Published in Bulletin of materials science (01.06.1991)
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Journal Article
Understanding the mechanism of ice binding by type III antifreeze proteins
Antson, Alfred A., Smith, Derek J., Roper, David I., Lewis, Sally, Caves, Leo S.D., Verma, Chandra S., Buckley, Sarah L., Lillford, Peter J., Hubbard, Roderick E.
Published in Journal of molecular biology (26.01.2001)
Published in Journal of molecular biology (26.01.2001)
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Journal Article
Locating interaction sites on proteins: The crystal structure of thermolysin soaked in 2% to 100% isopropanol
English, Andrew C., Done, Sarah H., Caves, Leo S.D., Groom, Colin R., Hubbard, Roderick E.
Published in Proteins, structure, function, and bioinformatics (01.12.1999)
Published in Proteins, structure, function, and bioinformatics (01.12.1999)
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Journal Article
Remeasuring the anomalously enhanced $B(E2; 2^+ \rightarrow 1^+)$ in $^8\mathrm{Li}
Henderson, S. L, Ahn, T, Fasano, P. J, McCoy, A. E, Aguilar, S, Blankstein, D. T, Caves, L, Dombos, A. C, Grzywacz, R. K, Jones, K. L, Jin, S, Kelmar, R, Kolata, J. J, O'Malley, P. D, Reingold, C. S, Simon, A, Smith, K
Year of Publication 13.09.2021
Year of Publication 13.09.2021
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Journal Article
Demonstration that 1-trans-epoxysuccinyl-L-leucylamido-(4-guanidino) butane (E-64) is one of the most effective low Mr inhibitors of trypsin-catalysed hydrolysis. Characterization by kinetic analysis and by energy minimization and molecular dynamics simulation of the E-64-beta-trypsin complex
Sreedharan, S K, Verma, C, Caves, L S, Brocklehurst, S M, Gharbia, S E, Shah, H N, Brocklehurst, K
Published in Biochemical journal (15.06.1996)
Published in Biochemical journal (15.06.1996)
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Journal Article
Investigating the High Affinity and Low Sequence Specificity of Calmodulin Binding to its Targets
Afshar, Mohammad, Caves, Leo S.D., Guimard, Laurent, Hubbard, Roderick E., Calas, Bernard, Grassy, Gerard, Haiech, Jacques
Published in Journal of molecular biology (16.12.1994)
Published in Journal of molecular biology (16.12.1994)
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Journal Article
Domain motions in dihydrofolate reductase: a molecular dynamics study
Verma, Chandra S., Caves, Leo S.D., Hubbard, Roderick E., Roberts, Gordon C.K.
Published in Journal of molecular biology (07.03.1997)
Published in Journal of molecular biology (07.03.1997)
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Journal Article
Remeasuring the anomalously enhanced \(B(E2; 2^+ \rightarrow 1^+)\) in \(^8\mathrm{Li}\)
Henderson, S L, Ahn, T, Fasano, P J, McCoy, A E, Aguilar, S, Blankstein, D T, Caves, L, Dombos, A C, Grzywacz, R K, Jones, K L, Jin, S, Kelmar, R, Kolata, J J, O'Malley, P D, Reingold, C S, Simon, A, Smith, K
Published in arXiv.org (05.05.2023)
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Published in arXiv.org (05.05.2023)
Paper
Structural Consequences of the B5 Histidine → Tyrosine Mutation in Human Insulin Characterized by X-ray Crystallography and Conformational Analysis
Tang, Lei, Whittingham, Jean L, Verma, Chandra S, Caves, Leo S. D, Dodson, G. Guy
Published in Biochemistry (Easton) (14.09.1999)
Published in Biochemistry (Easton) (14.09.1999)
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Journal Article
Thermal pre-dimensioning methodology based on thermal impedance
Dubus, P, Leon, R, Le Guyader, D, Caves, L
Published in 2010 6th International Conference on Integrated Power Electronics Systems (01.03.2010)
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Published in 2010 6th International Conference on Integrated Power Electronics Systems (01.03.2010)
Conference Proceeding