-
1
-
-
0011083499
-
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
-
COI: 1:CAS:528:DyaL1cXmtlOitbw%3D
-
Reed, A.E., Curtiss, L.A., Weinhold, F.: Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint. J. Chem. Rev 88, 899–926 (1988) DOI: 10.1021/cr00088a005
-
(1988)
J. Chem. Rev
, vol.88
, pp. 899-926
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
2
-
-
79957823184
-
Integrin targeting for tumor optical imaging
-
Yunpeng, Y., Xiaoyuan, C.: Integrin targeting for tumor optical imaging. Theranostics 1, 102–126 (2011)
-
(2011)
Theranostics
, vol.1
, pp. 102-126
-
-
Yunpeng, Y.1
Xiaoyuan, C.2
-
3
-
-
34347204144
-
A cell nanoinjector based on carbon nanotubes
-
COI: 1:CAS:528:DC%2BD2sXmtVKmtro%3D
-
Chen, X., Kis, A., Zettl, A., Bertozzi, C.R.: A cell nanoinjector based on carbon nanotubes. Proc. Natl. Acad. Sci. USA 104, 8218–8222 (2007) DOI: 10.1073/pnas.0700567104
-
(2007)
Proc. Natl. Acad. Sci. USA
, vol.104
, pp. 8218-8222
-
-
Chen, X.1
Kis, A.2
Zettl, A.3
Bertozzi, C.R.4
-
4
-
-
79551571798
-
Behavioral counseling to prevent skin cancer: a systematic review for the U.S. Preventive Services Task Force
-
Lin, J., Eder, M., Weinmann, S.: Behavioral counseling to prevent skin cancer: a systematic review for the U.S. Preventive Services Task Force. Ann. Intern. Med. 154, 190–201 (2011) DOI: 10.7326/0003-4819-154-3-201102010-00009
-
(2011)
Ann. Intern. Med.
, vol.154
, pp. 190-201
-
-
Lin, J.1
Eder, M.2
Weinmann, S.3
-
5
-
-
77956156031
-
Ultraviolet radiation and skin cancer
-
Narayanan, D., Saladi, R., Fox, J.: Ultraviolet radiation and skin cancer. Int. J. Dermatol. 49, 978–986 (2010) DOI: 10.1111/j.1365-4632.2010.04474.x
-
(2010)
Int. J. Dermatol.
, vol.49
, pp. 978-986
-
-
Narayanan, D.1
Saladi, R.2
Fox, J.3
-
6
-
-
38149081350
-
Electrochemotherapy in treatment of tumours
-
COI: 1:STN:280:DC%2BD1c%2FltVensQ%3D%3D
-
Sersa, G., Miklavcic, D., Cemazar, M., Rudolf, Z., Pucihar, G., Snoj, M.: Electrochemotherapy in treatment of tumours. Eur. J. Surg. Oncol. 34, 232–240 (2008) DOI: 10.1016/j.ejso.2007.05.016
-
(2008)
Eur. J. Surg. Oncol.
, vol.34
, pp. 232-240
-
-
Sersa, G.1
Miklavcic, D.2
Cemazar, M.3
Rudolf, Z.4
Pucihar, G.5
Snoj, M.6
-
7
-
-
40749142413
-
Systemic chemotherapy for cancer: from weapon to treatment
-
Joensuu, H.: Systemic chemotherapy for cancer: from weapon to treatment. Lancet Oncol. 9, 304 (2008) DOI: 10.1016/S1470-2045(08)70075-5
-
(2008)
Lancet Oncol.
, vol.9
, pp. 304
-
-
Joensuu, H.1
-
8
-
-
34249934044
-
Treatment of acute promyelocytic leukemia
-
Sanz, M.: Treatment of acute promyelocytic leukemia. Hematol. Am. Soc. Hematol. Educ. Progr. 15, 147–155 (2006) DOI: 10.1182/asheducation-2006.1.147
-
(2006)
Hematol. Am. Soc. Hematol. Educ. Progr.
, vol.15
, pp. 147-155
-
-
Sanz, M.1
-
9
-
-
85135243770
-
The interaction between carbon nanotube and skin anti-cancer drugs: a DFT and NBO approach
-
Hesabi, M., Hesabi, M.: The interaction between carbon nanotube and skin anti-cancer drugs: a DFT and NBO approach. J. Nanostruct. Chem. 3, 22 (2013) DOI: 10.1186/2193-8865-3-22
-
(2013)
J. Nanostruct. Chem.
, vol.3
, pp. 22
-
-
Hesabi, M.1
Hesabi, M.2
-
10
-
-
85064753672
-
Study of the effect of temperature on water permeation through Carbon nanotubes subjected to an induced pressure gradient: a molecular dynamics simulation
-
Seram, H.A., Coorey, R.V.: Study of the effect of temperature on water permeation through Carbon nanotubes subjected to an induced pressure gradient: a molecular dynamics simulation. Proc. Tech. Sess. 27, 17–25 (2011)
-
(2011)
Proc. Tech. Sess.
, vol.27
, pp. 17-25
-
-
Seram, H.A.1
Coorey, R.V.2
-
11
-
-
84859602847
-
Theoretical study of drug delivery ability of carbon nanotube
-
Dalili Mansour, N., Zare, K., Elsagh, A.: Theoretical study of drug delivery ability of carbon nanotube. J. Phys. Theor. Chem. 7, 15–21 (2010)
-
(2010)
J. Phys. Theor. Chem.
, vol.7
, pp. 15-21
-
-
Dalili Mansour, N.1
Zare, K.2
Elsagh, A.3
-
12
-
-
85051195995
-
Supra molecular complexes of carbon nanotubes with doxorubicin and poly (Ethylen glycol) studied using the molecular docking and dynamic methods
-
COI: 1:CAS:528:DC%2BC3sXmtVyku7o%3D, 1:CAS:528:DC%2BC3sXmtVyku7o%3D
-
Kiruta, N.V., Dyachkov, E.P., Dyachkov, P.N.: Supra molecular complexes of carbon nanotubes with doxorubicin and poly (Ethylen glycol) studied using the molecular docking and dynamic methods. Comp. Model. New. Technol. 15, 16–22 (2011)
-
(2011)
Comp. Model. New. Technol.
, vol.15
, pp. 16-22
-
-
Kiruta, N.V.1
Dyachkov, E.P.2
Dyachkov, P.N.3
-
13
-
-
84859602847
-
Theoretical study of drug delivery ability of carbon nanotube
-
Dalili Mansour, N., Zare, K., Elsagh, A.: Theoretical study of drug delivery ability of carbon nanotube. J. Phys. Theo. Chem. 7, 15–21 (2010)
-
(2010)
J. Phys. Theo. Chem.
, vol.7
, pp. 15-21
-
-
Dalili Mansour, N.1
Zare, K.2
Elsagh, A.3
-
14
-
-
0029011701
-
A second generation force field for the simulation of proteins, nucleic acids, and organic molecules
-
COI: 1:CAS:528:DyaK2MXlsFertrc%3D
-
Cornell, W.D., Cieplak, P., Bayly, C.I., Gould, I.R., Merz Jr, K.M., Ferguson, D.M., Spellmeyer, D.C., Fox, T., Caldwell, J.W., Kollman, P.A.: A second generation force field for the simulation of proteins, nucleic acids, and organic molecules. J. Am. Chem. Soc. 117, 5179–5197 (1995) DOI: 10.1021/ja00124a002
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz, K.M.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
15
-
-
0842341771
-
Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
-
COI: 1:CAS:528:DyaL2MXktFWlsLk%3D
-
Dewar, M.J.S., Zoebisch, E.G., Healy, E.F., Stewart, J.J.P.: Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model. J. Am. Chem. Soc. 107, 3902–3909 (1985) DOI: 10.1021/ja00299a024
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3902-3909
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.3
Stewart, J.J.P.4
-
16
-
-
7544226311
-
PRODRG: a tool for high-throughput crystallography of protein-ligand complexes
-
Schuttelkopf, A.W., van Aalten, D.M.F.: PRODRG: a tool for high-throughput crystallography of protein-ligand complexes. Acta Crystallogr. 60, 1355–1363 (2004)
-
(2004)
Acta Crystallogr.
, vol.60
, pp. 1355-1363
-
-
Schuttelkopf, A.W.1
van Aalten, D.M.F.2
-
17
-
-
85135254973
-
University of Delaware
-
Frey, J.T., Doren, D.J.: University of Delaware, Newark DE (2011). http://turin.nss.udel.edu/research/tubegenonline.html
-
(2011)
Newark DE
-
-
Frey, J.T.1
Doren, D.J.2
-
18
-
-
61349162324
-
Structure and dynamics in methanol and its lithium ion solution confined by carbon nanotubes
-
COI: 1:CAS:528:DC%2BD1MXivVSitro%3D
-
Chaban, V.V., Kalugin, D.N.: Structure and dynamics in methanol and its lithium ion solution confined by carbon nanotubes. J. Mol. Liq. 145, 145–151 (2009) DOI: 10.1016/j.molliq.2008.06.003
-
(2009)
J. Mol. Liq.
, vol.145
, pp. 145-151
-
-
Chaban, V.V.1
Kalugin, D.N.2
-
19
-
-
75549091382
-
Liquid dimethyl sulphoxide confined by carbon nanotubes
-
Kalugin, O.N., Kalugin, D.N.: Liquid dimethyl sulphoxide confined by carbon nanotubes. J. Mol. Liq. 151, 113–116 (2010) DOI: 10.1016/j.molliq.2009.11.011
-
(2010)
J. Mol. Liq.
, vol.151
, pp. 113-116
-
-
Kalugin, O.N.1
Kalugin, D.N.2
-
20
-
-
11244289541
-
Validation of the GROMOSE force field parameter set 45 A3 against nuclear magnetic resonance data of hen egg lyzozyme
-
COI: 1:CAS:528:DC%2BD2MXkslOi
-
Soares, T., Daura, X., Oostenbrink, C., Smith, L.J., van Gunsteren, W.F.: Validation of the GROMOSE force field parameter set 45 A3 against nuclear magnetic resonance data of hen egg lyzozyme. J. Biomol. NMR 30, 407–422 (2004) DOI: 10.1007/s10858-004-5430-1
-
(2004)
J. Biomol. NMR
, vol.30
, pp. 407-422
-
-
Soares, T.1
Daura, X.2
Oostenbrink, C.3
Smith, L.J.4
van Gunsteren, W.F.5
-
21
-
-
0035909712
-
Carbon nanotubes in water: structural characteristics and energetics
-
COI: 1:CAS:528:DC%2BD3MXmvFSgt7g%3D
-
Walther, J.H., Jaffe, R., Halicioglu, T., Koumoutsakos, P.: Carbon nanotubes in water: structural characteristics and energetics. J. Phys. Chem. B 105, 9980–9987 (2001) DOI: 10.1021/jp011344u
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 9980-9987
-
-
Walther, J.H.1
Jaffe, R.2
Halicioglu, T.3
Koumoutsakos, P.4
-
22
-
-
27344454932
-
GROMACS: fast, flexible, and free
-
Van Der Spoel, D.: GROMACS: fast, flexible, and free. J. Comput. Chem. 26, 1701–1718 (2005) DOI: 10.1002/jcc.20291
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 1701-1718
-
-
Van Der Spoel, D.1
-
23
-
-
33846823909
-
Particle mesh Ewald-an N. Log(N) method for Ewald sums in large systems
-
COI: 1:CAS:528:DyaK3sXks1Ohsr0%3D
-
Darden, T., York, D., Pedersen, L.: Particle mesh Ewald-an N. Log(N) method for Ewald sums in large systems. J. Chem. Phys. 98, 10089 (1993) DOI: 10.1063/1.464397
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 10089
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
24
-
-
58949104921
-
Phase transitions in polypeptides: analysis of energy fluctuations
-
COI: 1:CAS:528:DC%2BD1MXhs1SjsbY%3D
-
Yakubovich, A.V., Solovyov, I.A., Solovyova, A.V., Greiner, W.: Phase transitions in polypeptides: analysis of energy fluctuations. J. Eur. Phys. D 51, 25–32 (2009) DOI: 10.1140/epjd/e2008-00126-y
-
(2009)
J. Eur. Phys. D
, vol.51
, pp. 25-32
-
-
Yakubovich, A.V.1
Solovyov, I.A.2
Solovyova, A.V.3
Greiner, W.4
-
26
-
-
0033557303
-
Kollman PA: What determines the van der Waals coefficient β in the LIE (Linear Interaction Energy) method to estimate binding free energies using molecular dynamics simulations?
-
COI: 1:CAS:528:DyaK1MXhtVOku74%3D
-
Wang, W., Wang, J.: Kollman PA: What determines the van der Waals coefficient β in the LIE (Linear Interaction Energy) method to estimate binding free energies using molecular dynamics simulations? PROTEINS Struct. Funct. Genet. 34, 395–402 (1999) DOI: 10.1002/(SICI)1097-0134(19990215)34:3<395::AID-PROT11>3.0.CO;2-4
-
(1999)
PROTEINS Struct. Funct. Genet.
, vol.34
, pp. 395-402
-
-
Wang, W.1
Wang, J.2
-
27
-
-
79551643737
-
Effects of osmolytes on the helical conformation of model peptide: molecular dynamics simulation
-
Mehrnejad, F., Ghahremanpour, M.M., Khadem-Maaref, M., Doustdar, F.: Effects of osmolytes on the helical conformation of model peptide: molecular dynamics simulation. J. Chem. Phys. 134, 035104 (2011) DOI: 10.1063/1.3530072
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 035104
-
-
Mehrnejad, F.1
Ghahremanpour, M.M.2
Khadem-Maaref, M.3
Doustdar, F.4
-
28
-
-
84858705336
-
Solvent effects on the absorption and fluorescence spectra of Cu(II)-phthalocyanine, and DFT calculations
-
COI: 1:CAS:528:DC%2BC38XktVGrtL0%3D
-
Rauf, M.A., Hisaindee, S., Graham, J.P., Nawaz, M.: Solvent effects on the absorption and fluorescence spectra of Cu(II)-phthalocyanine, and DFT calculations. J. Mol. Liq. 168, 102–109 (2012) DOI: 10.1016/j.molliq.2012.01.008
-
(2012)
J. Mol. Liq.
, vol.168
, pp. 102-109
-
-
Rauf, M.A.1
Hisaindee, S.2
Graham, J.P.3
Nawaz, M.4
-
29
-
-
84859753027
-
Enhanced adsorption of paracetamol on closed carbon nanotubes by formation of nanoaggregates: carbon nanotubes as potential materials in hot-melt drug deposition-experiment and simulation
-
COI: 1:CAS:528:DC%2BC38XlsFSmu78%3D
-
Terzyk, A.P., Pacholczyk, A., Wisniewski, M., Gauden, P.A.: Enhanced adsorption of paracetamol on closed carbon nanotubes by formation of nanoaggregates: carbon nanotubes as potential materials in hot-melt drug deposition-experiment and simulation. J. Colloid Interface Sci. 376, 209–216 (2012) DOI: 10.1016/j.jcis.2012.03.004
-
(2012)
J. Colloid Interface Sci.
, vol.376
, pp. 209-216
-
-
Terzyk, A.P.1
Pacholczyk, A.2
Wisniewski, M.3
Gauden, P.A.4
-
30
-
-
84880699694
-
Carbon nanotubes as potential material for drug delivery—experiment and simulation
-
COI: 1:CAS:528:DC%2BC3sXlslSjtrc%3D
-
Terzyk, A.P., Wisniewski, M., Dulska, K., Bielicka, A., Gauden, P.A., Furmaniak, S., Werengowska-Ciecwierz, K.: Carbon nanotubes as potential material for drug delivery—experiment and simulation. Adsorption 19, 269–272 (2013) DOI: 10.1007/s10450-012-9449-4
-
(2013)
Adsorption
, vol.19
, pp. 269-272
-
-
Terzyk, A.P.1
Wisniewski, M.2
Dulska, K.3
Bielicka, A.4
Gauden, P.A.5
Furmaniak, S.6
Werengowska-Ciecwierz, K.7
-
31
-
-
79953059618
-
Urea-induced drying of hydrophobic nanotubes: comparison of different Urea models
-
COI: 1:CAS:528:DC%2BC3MXivFClsrs%3D
-
Xiu, P., Yang, Z.X., Zhou, B.: Urea-induced drying of hydrophobic nanotubes: comparison of different Urea models. J. Phys. Chem. B 115, 2988–2994 (2011) DOI: 10.1021/jp108303q
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 2988-2994
-
-
Xiu, P.1
Yang, Z.X.2
Zhou, B.3
-
32
-
-
84862257709
-
Molecular dynamics simulation of CH4 hydrate decomposition in the presence of poly (2-ethyl2-oxazoline)
-
Yang-Hong, W., Yu-Juan, C., Ling, B., Xue-Mei, L., Shuan-Shi, F.: Molecular dynamics simulation of CH4 hydrate decomposition in the presence of poly (2-ethyl2-oxazoline). Acta Phys. Chim. Sin. 28, 1683–1690 (2012)
-
(2012)
Acta Phys. Chim. Sin.
, vol.28
, pp. 1683-1690
-
-
Yang-Hong, W.1
Yu-Juan, C.2
Ling, B.3
Xue-Mei, L.4
Shuan-Shi, F.5
-
33
-
-
84862127163
-
Density, viscosity and surface tension of water + ethanol mixtures from 293 to 323 K
-
COI: 1:CAS:528:DC%2BC38XotVSgur8%3D
-
Khattab, I.S., Bandarkar, F., Abolghasemi Fakhree, M.M., Jouyban, A.: Density, viscosity and surface tension of water + ethanol mixtures from 293 to 323 K. Korean J. Chem. Eng 29, 812–813 (2012) DOI: 10.1007/s11814-011-0239-6
-
(2012)
Korean J. Chem. Eng
, vol.29
, pp. 812-813
-
-
Khattab, I.S.1
Bandarkar, F.2
Abolghasemi Fakhree, M.M.3
Jouyban, A.4
-
34
-
-
79751537881
-
How do carbon nanotubes serve as carriers for gemcitabine transport in a drug delivery system?
-
Arsawanga, U., Saengsawangb, O., Rungrotmongkol, K., Sornmeea, P., Wittayanarakul, K., Remsungnend, T., Hannongbuab, S.: How do carbon nanotubes serve as carriers for gemcitabine transport in a drug delivery system? J. Mol. Graph. Model. 29, 591–596 (2011) DOI: 10.1016/j.jmgm.2010.11.002
-
(2011)
J. Mol. Graph. Model.
, vol.29
, pp. 591-596
-
-
Arsawanga, U.1
Saengsawangb, O.2
Rungrotmongkol, K.3
Sornmeea, P.4
Wittayanarakul, K.5
Remsungnend, T.6
Hannongbuab, S.7
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