-
1
-
-
84862189254
-
Inhibitors of Dengue virus and West Nile virus proteases based on the amino-benzamide scaffold
-
Aravapalli, S., Lai, H., Teramoto, T., Alliston, K.R., Lushington, G.H., Ferguson, E.L., Padmanabhan, R. & Groutas, W.C. (2012). Inhibitors of Dengue virus and West Nile virus proteases based on the amino-benzamide scaffold. Bioorganic and Medicinal Chemistry 20: 4140-4148.
-
(2012)
Bioorganic and Medicinal Chemistry
, vol.20
, pp. 4140-4148
-
-
Aravapalli, S.1
Lai, H.2
Teramoto, T.3
Alliston, K.R.4
Lushington, G.H.5
Ferguson, E.L.6
Padmanabhan, R.7
Groutas, W.C.8
-
2
-
-
3042524904
-
A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: The RESP model
-
Bayly, C.I., Cieplak, P., Cornell, W. & Kollman, P.A. (1993). A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model. The Journal of Physical Chemistry 97: 10269-10280.
-
(1993)
The Journal of Physical Chemistry
, vol.97
, pp. 10269-10280
-
-
Bayly, C.I.1
Cieplak, P.2
Cornell, W.3
Kollman, P.A.4
-
3
-
-
0033955886
-
Phylogeny of the genus Flavivirus using complete coding sequences of arthropod-borne viruses and viruses with no known vector
-
Billoir, F., de Chesse, R., Tolou, H., de Micco, P., Gould, E.A. & de Lamballerie, X. (2000). Phylogeny of the genus Flavivirus using complete coding sequences of arthropod-borne viruses and viruses with no known vector. Journal of General Virology 81: 781-790.
-
(2000)
Journal of General Virology
, vol.81
, pp. 781-790
-
-
Billoir, F.1
de Chesse, R.2
Tolou, H.3
de Micco, P.4
Gould, E.A.5
de Lamballerie, X.6
-
4
-
-
0034212669
-
Developing a dynamic pharmacophore model for HIV-1 integrase
-
Carlson, H.A., Masukawa, K.M., Rubins, K., Bushman, F.D., Jorgensen, W.L., Lins, R.D., Briggs, J.M. & McCammon, J.A. (2000). Developing a dynamic pharmacophore model for HIV-1 integrase. Journal of Medicinal Chemistry 43: 2100-2114.
-
(2000)
Journal of Medicinal Chemistry
, vol.43
, pp. 2100-2114
-
-
Carlson, H.A.1
Masukawa, K.M.2
Rubins, K.3
Bushman, F.D.4
Jorgensen, W.L.5
Lins, R.D.6
Briggs, J.M.7
McCammon, J.A.8
-
5
-
-
34247186195
-
-
University of California, San Francisco
-
Case, D.A., Darden, T.A., Cheatham, I.T.E., Simmerling, C.L., Wang, J., Duke, R.E., Luo, R., Merz, K.M., Pearlman, D.A., Crowley, M., Walker, R.C., Zhang, W., Wang, B., Hayik, S., Roitberg, A., Seabra, G., Wong, K.F., Paesani, F., Wu, X., Brozell, S., Tsui, V., Gohlke, H., Yang, L., Tan, C., Mongan, J., Hornak, V., Cui, G., Beroza, P., Mathews, D.H., Schafmeister, C., Ross, W.S. & Kollman, P.A. (2006) AMBER 9. University of California, San Francisco.
-
(2006)
AMBER 9
-
-
Case, D.A.1
Darden, T.A.2
Cheatham, I.T.E.3
Simmerling, C.L.4
Wang, J.5
Duke, R.E.6
Luo, R.7
Merz, K.M.8
Pearlman, D.A.9
Crowley, M.10
Walker, R.C.11
Zhang, W.12
Wang, B.13
Hayik, S.14
Roitberg, A.15
Seabra, G.16
Wong, K.F.17
Paesani, F.18
Wu, X.19
Brozell, S.20
Tsui, V.21
Gohlke, H.22
Yang, L.23
Tan, C.24
Mongan, J.25
Hornak, V.26
Cui, G.27
Beroza, P.28
Mathews, D.H.29
Schafmeister, C.30
Ross, W.S.31
Kollman, P.A.32
more..
-
6
-
-
0025116324
-
Flavivirus genome organization, expression, and replication
-
Chambers, T.J., Hahn, C.S., Galler, R. & Rice, C.M. (1990a). Flavivirus genome organization, expression, and replication. Annual Review of Microbiology 44: 649-688.
-
(1990)
Annual Review of Microbiology
, vol.44
, pp. 649-688
-
-
Chambers, T.J.1
Hahn, C.S.2
Galler, R.3
Rice, C.M.4
-
7
-
-
0025201350
-
Evidence that the N-terminal domain of nonstructural protein NS3 from yellow fever virus is a serine protease responsible for site-specific cleavages in the viral poly-protein
-
Chambers, T.J., Weir, R.C., Grakoui, A., McCourt, D.W., Bazan, J.F., Fletterick, R.J. & Rice, C.M. (1990b). Evidence that the N-terminal domain of nonstructural protein NS3 from yellow fever virus is a serine protease responsible for site-specific cleavages in the viral poly-protein. Proceedings of the National Academy of Sciences 87: 8898-8902.
-
(1990)
Proceedings of the National Academy of Sciences
, vol.87
, pp. 8898-8902
-
-
Chambers, T.J.1
Weir, R.C.2
Grakoui, A.3
McCourt, D.W.4
Bazan, J.F.5
Fletterick, R.J.6
Rice, C.M.7
-
8
-
-
33846823909
-
Particle mesh Ewald: An N [center-dot] Log(N) Method For Ewald Sums In Large Systems
-
Darden, T., York, D. & Pedersen, L. (1993). Particle mesh Ewald: An N [center-dot] log(N) method for Ewald sums in large systems. The Journal of Chemical Physics 98: 10089-10092.
-
(1993)
The Journal of Chemical Physics
, vol.98
, pp. 10089-10092
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
9
-
-
14944359976
-
Dynamic receptor-based pharmacophore model development and its application in designing novel HIV-1 integrase inhibitors
-
Deng, J., Lee, K.W., Sanchez, T., Cui, M., Neamati, N. & Briggs, J.M. (2005). Dynamic receptor-based pharmacophore model development and its application in designing novel HIV-1 integrase inhibitors. Journal of Medicinal Chemistry 48: 1496-1505.
-
(2005)
Journal of Medicinal Chemistry
, vol.48
, pp. 1496-1505
-
-
Deng, J.1
Lee, K.W.2
Sanchez, T.3
Cui, M.4
Neamati, N.5
Briggs, J.M.6
-
10
-
-
84864193750
-
Discovery of novel small molecule inhibitors of Dengue viral NS2B-NS3 protease using virtual screening and scaffold hopping
-
Deng, J., Li, N., Liu, H., Zuo, Z., Liew, O.W., Xu, W., Chen, G., Tong, X., Tang, W., Zhu, J., Zuo, J., Jiang, H., Yang, C.-G., Li, J. & Zhu, W. (2012). Discovery of novel small molecule inhibitors of Dengue viral NS2B-NS3 protease using virtual screening and scaffold hopping. Journal of Medicinal Chemistry 55: 6278-6293.
-
(2012)
Journal of Medicinal Chemistry
, vol.55
, pp. 6278-6293
-
-
Deng, J.1
Li, N.2
Liu, H.3
Zuo, Z.4
Liew, O.W.5
Xu, W.6
Chen, G.7
Tong, X.8
Tang, W.9
Zhu, J.10
Zuo, J.11
Jiang, H.12
Yang, C.-G.13
Li, J.14
Zhu, W.15
-
11
-
-
33644867878
-
Dynamic pharmacophore model optimization: Identification of novel HIV-1 Integrase inhibitors
-
Deng, J., Sanchez, T., Neamati, N. & Briggs, J.M. (2006). Dynamic pharmacophore model optimization: Identification of novel HIV-1 Integrase inhibitors. Journal of Medicinal Chemistry 49: 1684-1692.
-
(2006)
Journal of Medicinal Chemistry
, vol.49
, pp. 1684-1692
-
-
Deng, J.1
Sanchez, T.2
Neamati, N.3
Briggs, J.M.4
-
12
-
-
0027499688
-
Deletion analysis of dengue virus type 4 nonstructural protein NS2B: Identification of a domain required for NS2B-NS3 protease activity
-
Falgout, B., Miller, R.H. & Lai, C.J. (1993). Deletion analysis of dengue virus type 4 nonstructural protein NS2B: identification of a domain required for NS2B-NS3 protease activity. Journal of Virology 67: 2034-2042.
-
(1993)
Journal of Virology
, vol.67
, pp. 2034-2042
-
-
Falgout, B.1
Miller, R.H.2
Lai, C.J.3
-
13
-
-
0025864149
-
Both nonstructural proteins NS2B and NS3 are required for the proteolytic processing of dengue virus nonstructural proteins
-
Falgout, B., Pethel, M., Zhang, Y.M. & Lai, C.J. (1991). Both nonstructural proteins NS2B and NS3 are required for the proteolytic processing of dengue virus nonstructural proteins. Journal of Virology 65: 2467-2475.
-
(1991)
Journal of Virology
, vol.65
, pp. 2467-2475
-
-
Falgout, B.1
Pethel, M.2
Zhang, Y.M.3
Lai, C.J.4
-
14
-
-
0038626673
-
-
Gaussian Inc., Wallingford CT
-
Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Montgomery, J.J.A., Vreven, T., Kudin, K.N., Burant, J.C., Millam, J.M., Iyengar, S.S., Tomasi, J., Barone, V., Mennucci, B., Cossi, M., Scalmani, G., Rega, N., Petersson, G.A., Nakatsuji, H., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Klene, M., Li, X., Knox, J.E., Hratchian, H.P., Cross, J.B., Bakken, V., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R.E., Yazyev, O., Austin, A.J., Cammi, R., Pomelli, C., Ochterski, J.W., Ayala, P.Y., Morokuma, K., Voth, G.A., Salvador, P., Dannenberg, J.J., Zakrzewski, V.G., Dapprich, S., Daniels, A.D., Strain, M.C., Farkas, O., Malick, D.K., Rabuck, A.D., Raghavachari, K., Foresman, J.B., Ortiz, J.V., Cui, Q., Baboul, A.G., Clifford, S., Cioslowski, J., Stefanov, B.B., Liu, G., Liashenko, A., Piskorz, P., Komaromi, I., Martin, R.L., Fox, D.J., Keith, T., Al-Laham, M.A., Peng, C.Y., Nanayakkara, A., Challacombe, M., Gill, P.M.W., Johnson, B., Chen, W., Wong, M.W., Gonzalez, C. & Pople, J.A. (2004). Gaussian 03. Gaussian Inc., Wallingford CT.
-
(2004)
Gaussian 03
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery, J.J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
15
-
-
9644272490
-
Identification and characterization of nonsubstrate based inhibitors of the essential dengue and West Nile virus proteases
-
Ganesh, V.K., Muller, N., Judge, K., Luan, C.-H., Padmanabhan, R. & Murthy, K.H.M. (2005). Identification and characterization of nonsubstrate based inhibitors of the essential dengue and West Nile virus proteases. Bioorganic and Medicinal Chemistry 13: 257-264.
-
(2005)
Bioorganic and Medicinal Chemistry
, vol.13
, pp. 257-264
-
-
Ganesh, V.K.1
Muller, N.2
Judge, K.3
Luan, C.-H.4
Padmanabhan, R.5
Murthy, K.H.M.6
-
16
-
-
0021871375
-
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
-
Goodford, P.J. (1985). A computational procedure for determining energetically favorable binding sites on biologically important macromolecules. Journal of Medicinal Chemistry 28: 849-857.
-
(1985)
Journal of Medicinal Chemistry
, vol.28
, pp. 849-857
-
-
Goodford, P.J.1
-
17
-
-
84884804334
-
-
GRID22a, Pinner, Middlesex, UK
-
GRID22a (2004). Moldiscovery Ltd. Pinner, Middlesex, UK.
-
(2004)
Moldiscovery Ltd
-
-
-
18
-
-
0031823546
-
Dengue and dengue hemorrhagic fever
-
Gubler, D.J. (1998). Dengue and dengue hemorrhagic fever. Clinical Microbiology Reviews 11: 480-496.
-
(1998)
Clinical Microbiology Reviews
, vol.11
, pp. 480-496
-
-
Gubler, D.J.1
-
20
-
-
0029279259
-
Dengue/ dengue hemorrhagic fever: The emergence of a global health problem
-
Gubler, D.J. & Clark, G.G. (1995). Dengue/ dengue hemorrhagic fever: the emergence of a global health problem. Emerging Infectious Diseases 1: 55-57.
-
(1995)
Emerging Infectious Diseases
, vol.1
, pp. 55-57
-
-
Gubler, D.J.1
Clark, G.G.2
-
21
-
-
33748518255
-
Comparison of multiple Amber force fields and development of improved protein backbone parameters
-
Hornak, V., Abel, R., Okur, A., Strockbine, B., Roitberg, A. & Simmerling, C. (2006). Comparison of multiple Amber force fields and development of improved protein backbone parameters. Proteins: Structure, Function, and Bioinforma-tics 65: 712-725.
-
(2006)
Proteins: Structure, Function, and Bioinforma-tics
, vol.65
, pp. 712-725
-
-
Hornak, V.1
Abel, R.2
Okur, A.3
Strockbine, B.4
Roitberg, A.5
Simmerling, C.6
-
22
-
-
0028854034
-
Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation
-
Jones, G., Willett, P. & Glen, R.C. (1995). Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation. Journal of Molecular Biology 245: 43-53.
-
(1995)
Journal of Molecular Biology
, vol.245
, pp. 43-53
-
-
Jones, G.1
Willett, P.2
Glen, R.C.3
-
23
-
-
0031552362
-
Development and validation of a genetic algorithm for flexible docking
-
Jones, G., Willett, P., Glen, R.C., Leach, A.R. & Taylor, R. (1997). Development and validation of a genetic algorithm for flexible docking. Journal of Molecular Biology 267: 727-748.
-
(1997)
Journal of Molecular Biology
, vol.267
, pp. 727-748
-
-
Jones, G.1
Willett, P.2
Glen, R.C.3
Leach, A.R.4
Taylor, R.5
-
24
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen, W.L., Chandrasekhar, J., Madura, J.D., Impey, R.W. & Klein, M.L. (1983). Comparison of simple potential functions for simulating liquid water. The Journal of Chemical Physics 79: 926-935.
-
(1983)
The Journal of Chemical Physics
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
25
-
-
10744223893
-
Alterations of pr-M cleavage and virus export in pr-M junction chimeric Dengue viruses
-
Keelapang, P., Sriburi, R., Supasa, S., Panyadee, N., Songjaeng, A., Jairungsri, A., Puttikhunt, C., Kasinrerk, W., Malasit, P. & Sittisombut, N. (2004). Alterations of pr-M cleavage and virus export in pr-M junction chimeric Dengue viruses. Journal of Virology 78: 2367-2381.
-
(2004)
Journal of Virology
, vol.78
, pp. 2367-2381
-
-
Keelapang, P.1
Sriburi, R.2
Supasa, S.3
Panyadee, N.4
Songjaeng, A.5
Jairungsri, A.6
Puttikhunt, C.7
Kasinrerk, W.8
Malasit, P.9
Sittisombut, N.10
-
26
-
-
53249121029
-
Towards the design of antiviral inhibitors against flaviviruses: The case for the multifunctional NS3 protein from Dengue virus as a target
-
Lescar, J., Luo, D., Xu, T., Sampath, A., Lim, S.P., Canard, B. & Vasudevan, S.G. (2008). Towards the design of antiviral inhibitors against flaviviruses: The case for the multifunctional NS3 protein from Dengue virus as a target. Antiviral Research 80: 94-101.
-
(2008)
Antiviral Research
, vol.80
, pp. 94-101
-
-
Lescar, J.1
Luo, D.2
Xu, T.3
Sampath, A.4
Lim, S.P.5
Canard, B.6
Vasudevan, S.G.7
-
27
-
-
0035289779
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
Lipinski, C.A., Lombardo, F., Dominy, B.W. & Feeney, P.J. (2001). Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Advanced Drug Delivery Reviews 46: 3-26.
-
(2001)
Advanced Drug Delivery Reviews
, vol.46
, pp. 3-26
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
28
-
-
78649772319
-
Viral and epidemiological determinants of the invasion dynamics of novel dengue genotypes
-
Lourenço, J. & Recker, M. (2010). Viral and epidemiological determinants of the invasion dynamics of novel dengue genotypes. PLoS Neglected Tropical Diseases 4: e894.
-
(2010)
PLoS Neglected Tropical Diseases
, vol.e894
, pp. 4
-
-
Lourenço, J.1
Recker, M.2
-
29
-
-
0036771626
-
Accelerated Poisson-Boltzmann calculations for static and dynamic systems
-
Luo, R., David, L. & Gilson, M.K. (2002). Accelerated Poisson-Boltzmann calculations for static and dynamic systems. Journal of Computational Chemistry 23: 1244-1253.
-
(2002)
Journal of Computational Chemistry
, vol.23
, pp. 1244-1253
-
-
Luo, R.1
David, L.2
Gilson, M.K.3
-
30
-
-
84855264362
-
Prevalence and molecular characterization of dengue viruses serotypes in 2010 epidemic
-
Mahmood, N., Rana, M.Y., Qureshi, Z., Mujtaba, G. & Shaukat, U. (2012). Prevalence and molecular characterization of dengue viruses serotypes in 2010 epidemic. American Journal of the Medicanal Sciences 343: 61-64.
-
(2012)
American Journal of the Medicanal Sciences
, vol.343
, pp. 61-64
-
-
Mahmood, N.1
Rana, M.Y.2
Qureshi, Z.3
Mujtaba, G.4
Shaukat, U.5
-
31
-
-
34447532605
-
-
MOE, 10, 2008, Inc. Montreal, Canada
-
MOE 2008.10 (2008) Chemical Computing Group, Inc. Montreal, Canada.
-
(2008)
Chemical Computing Group
-
-
-
32
-
-
50949084334
-
Identification and biochemical characterization of small-molecule inhibitors of west nile virus serine protease by a high-throughput screen
-
Mueller, N.H., Pattabiraman, N., Ansarah-Sobrinho, C., Viswanathan, P., Pierson, T.C. & Padmanabhan, R. (2008). Identification and biochemical characterization of small-molecule inhibitors of west nile virus serine protease by a high-throughput screen. Antimicrobial Agents and Chemotherapy 52: 3385-3393.
-
(2008)
Antimicrobial Agents and Chemotherapy
, vol.52
, pp. 3385-3393
-
-
Mueller, N.H.1
Pattabiraman, N.2
Ansarah-Sobrinho, C.3
Viswanathan, P.4
Pierson, T.C.5
Padmanabhan, R.6
-
33
-
-
84855921187
-
Ligand-bound structures of the Dengue virus protease reveal the active conformation
-
Noble, C.G., Seh, C.C., Chao, A.T. & Shi, P.Y. (2012). Ligand-bound structures of the Dengue virus protease reveal the active conformation. Journal of Virology 86: 438-446.
-
(2012)
Journal of Virology
, vol.86
, pp. 438-446
-
-
Noble, C.G.1
Seh, C.C.2
Chao, A.T.3
Shi, P.Y.4
-
34
-
-
0034073605
-
Property distribution of drug-related chemical databases
-
Oprea, T. I. (2000). Property distribution of drug-related chemical databases. Journal of Computer-Aided Molecular Design 14: 251-264.
-
(2000)
Journal of Computer-Aided Molecular Design
, vol.14
, pp. 251-264
-
-
Oprea, T.I.1
-
35
-
-
84952104504
-
An analysis of the accuracy of Langevin and molecular dynamics algorithms
-
Pastor, R.W., Brooks, B.R. & Szabo, A. (1988). An analysis of the accuracy of Langevin and molecular dynamics algorithms. Molecular Physics 65: 1409-1419.
-
(1988)
Molecular Physics
, vol.65
, pp. 1409-1419
-
-
Pastor, R.W.1
Brooks, B.R.2
Szabo, A.3
-
37
-
-
77955647573
-
Characterization of Dengue virus type 2: New insights on the 2010 Brazilian epidemic
-
Romano, C.M., de Matos, A.M., Araújo, E.S.A., Villas-Boas, L.S., da Silva, W.C., Oliveira, O.M.N.P.F., Carvalho, K.I., de Souza, A.C.M., Rodrigues, C.L., Levi, J.E., Kallas, E.G. & Pannuti, C.S. (2010). Characterization of Dengue virus type 2: New insights on the 2010 Brazilian epidemic. PLoS ONE 5: e11811.
-
(2010)
PLoS ONE
, vol.5
-
-
Romano, C.M.1
de Matos, A.M.2
Araújo, E.S.A.3
Villas-Boas, L.S.4
da Silva, W.C.5
Oliveira, O.M.N.P.F.6
Carvalho, K.I.7
de Souza, A.C.M.8
Rodrigues, C.L.9
Levi, J.E.10
Kallas, E.G.11
Pannuti, C.S.12
-
38
-
-
33646940952
-
Numerical integration of the cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes
-
Ryckaert, J.-P., Ciccotti, G. & Berendsen, H.J.C. (1977). Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes. Journal of Computational Physics 23: 327-341.
-
(1977)
Journal of Computational Physics
, vol.23
, pp. 327-341
-
-
Ryckaert, J.-P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
39
-
-
32844457567
-
Accurate calculation of hydration free energies using macroscopic solvent models
-
Sitkoff, D., Sharp, K.A. & Honig, B. (1994). Accurate calculation of hydration free energies using macroscopic solvent models. The Journal of Physical Chemistry 98: 1978-1988.
-
(1994)
The Journal of Physical Chemistry
, vol.98
, pp. 1978-1988
-
-
Sitkoff, D.1
Sharp, K.A.2
Honig, B.3
-
40
-
-
79959530775
-
Synthesis and biological evaluation of alpha-ketoamides as inhibitors of the Dengue virus protease with antiviral activity in cell-culture
-
Steuer, C., Gege, C., Fischl, W., Heinonen, K.H., Bartenschlager, R. & Klein, C.D. (2011). Synthesis and biological evaluation of alpha-ketoamides as inhibitors of the Dengue virus protease with antiviral activity in cell-culture. Bioorganic and Medicinal Chemistry 19: 4067-4074.
-
(2011)
Bioorganic and Medicinal Chemistry
, vol.19
, pp. 4067-4074
-
-
Steuer, C.1
Gege, C.2
Fischl, W.3
Heinonen, K.H.4
Bartenschlager, R.5
Klein, C.D.6
-
41
-
-
84856213045
-
Inhibition of Dengue virus and West Nile virus proteases by click chemistry-derived benz[d]isothiazol-3(2H)-one derivatives
-
Tiew, K.-C., Dou, D., Teramoto, T., Lai, H., Alliston, K.R., Lushington, G.H., Padmanabhan, R. & Groutas, W.C. (2012). Inhibition of Dengue virus and West Nile virus proteases by click chemistry-derived benz[d]isothiazol-3(2H)-one derivatives. Bioorganic and Medicinal Chemistry 20: 1213-1221.
-
(2012)
Bioorganic and Medicinal Chemistry
, vol.20
, pp. 1213-1221
-
-
Tiew, K.-C.1
Dou, D.2
Teramoto, T.3
Lai, H.4
Alliston, K.R.5
Lushington, G.H.6
Padmanabhan, R.7
Groutas, W.C.8
-
42
-
-
2942532422
-
Development and testing of a general amber force field
-
Wang, J., Wolf, R.M., Caldwell, J.W., Kollman, P.A. & Case, D.A. (2004). Development and testing of a general amber force field. Journal of Computational Chemistry 25: 1157-1174.
-
(2004)
Journal of Computational Chemistry
, vol.25
, pp. 1157-1174
-
-
Wang, J.1
Wolf, R.M.2
Caldwell, J.W.3
Kollman, P.A.4
Case, D.A.5
-
43
-
-
77950675654
-
Homology modeling and molecular dynamics simulations of Dengue virus NS2B/NS3 protease: Insight into molecular interaction
-
Wichapong, K., Pianwanit, S., Sippl, W. & Kokpol, S. (2010). Homology modeling and molecular dynamics simulations of Dengue virus NS2B/NS3 protease: insight into molecular interaction. Journal of Molecular Recognition 23: 283-300.
-
(2010)
Journal of Molecular Recognition
, vol.23
, pp. 283-300
-
-
Wichapong, K.1
Pianwanit, S.2
Sippl, W.3
Kokpol, S.4
-
44
-
-
13844320566
-
LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters
-
Wolber, G. & Langer, T. (2004). LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters. Journal of Chemical Information and Modeling 45: 160-169.
-
(2004)
Journal of Chemical Information and Modeling
, vol.45
, pp. 160-169
-
-
Wolber, G.1
Langer, T.2
|