Group: Chang group - library 115 articles Export

	The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously13 [My Copy] Angewandte Chemie International Edition, Vol. 48, No. 48. (2009), pp. 9084-9087. by Matthias Mentel, Wulf Blankenfeldt, Rolf Breinbauer posted to proteins protein_crystallography enantiomer active_site by cchang to the group Chang group on 2009-11-26 02:43:22 as
	Computer-aided design of functional protein interactions [My Copy] Nature Chemical Biology, Vol. 5, No. 11. (19 October 2009), pp. 797-807. by Daniel J. Mandell, Tanja Kortemme posted to review protein_protein_interactions computer_aided_design computational_design 2009 by cchang to the group Chang group on 2009-11-04 23:24:08 as along with 3 people and 1 group robertrentzsch pablocarb flbarroso Orengo Group Journal Picks
	Tryptophan Synthase: Structure and Function of the Monovalent Cation Site [My Copy] Biochemistry, Vol. 0, No. ja. (0000) by Adam T. Dierkers, Dimitri Niks, Ilme Schlichting, Michael F. Dunn posted to trps structure_and_function monovalent_cation monovalent catalytic_activity by qaiser_fatmi to the group Chang group on 2009-10-28 17:56:41 as
	Tryptophan synthase: a mine for enzymologists [My Copy] Cellular and Molecular Life Sciences, Vol. 66, No. 14. (1 July 2009), pp. 2391-2403. by Samanta Raboni, Stefano Bettati, Andrea Mozzarelli posted to tryptophan_synthase trpsx-ray_crystallography pyridoxal-5-phosphate plp enzyme_catalysis conformational_changes by qaiser_fatmi to the group Chang group on 2009-10-28 17:51:50 as
	Synergistic Regulation and Ligand-Induced Conformational Changes of Tryptophan Synthase [My Copy] Biochemistry, Vol. 48, No. 41. (20 October 2009), pp. 9921-9931. by M. Qaiser Fatmi, Rizi Ai, Chia-en A. Chang posted to tryptophan_synthase trps synergistic_regulation md_simulation ligand_induced_conformational_changes interaction_energy entropy dynamics cooperativity conformational_change allosteric_regulation by qaiser_fatmi to the group Chang group on 2009-10-13 22:53:17 as
	Theory of Free Energy and Entropy in Noncovalent Binding [My Copy] Chemical Reviews, Vol. 109, No. 9. (9 September 2009), pp. 4092-4107. by Huan-Xiang Zhou, Michael K. Gilson posted to free_energy entropy by cchang to the group Chang group on 2009-10-05 21:40:41 as along with 7 people and 1 group jmccammon agrossfield anuragsethi sobolevnrm dr_proton qshao paulschlesinger McCammon
	Preclinical Evaluation of GS-9160, a Novel Inhibitor of Human Immunodeficiency Virus Type 1 Integrase [My Copy] Antimicrob. Agents Chemother., Vol. 53, No. 3. (1 March 2009), pp. 1194-1203. by Gregg S. Jones, Fang Yu, Ameneh Zeynalzadegan, et al.Joseph Hesselgesser, Xiaowu Chen, James Chen, Haolun Jin, Choung U. Kim, Matthew Wright, Romas Geleziunas, Manuel Tsiang posted to gs-9137 by arlam to the group Chang group on 2009-06-22 20:34:42 as
	Solvation and Hydrogen Bonding in Alanine- and Glycine-Containing Dipeptides Probed Using Solution- and Solid-State NMR Spectroscopy [My Copy] Journal of the American Chemical Society, Vol. 131, No. 27. (15 July 2009), pp. 9579-9589. by Manasi P. Bhate, Jaie C. Woodard, Manish A. Mehta posted to dipeptides hydrogen-bonding solid-state-nmr solution--state-nmr by qaiser_fatmi to the group Chang group on 2009-06-18 20:35:20 as along with 2 people yzlab carlosjavierna
	Calculation of absolute protein-ligand binding free energy using distributed replica sampling [My Copy] The Journal of Chemical Physics, Vol. 129, No. 15. (2008) by Tomas Rodinger, Lynne P. Howell, Régis Pomès posted to binding_affinity by arlam to the group Chang group on 2009-04-07 21:15:28 as along with 3 people and 1 group ibuch jmccammon yzlab McCammon
	Calculation of Absolute Protein-Ligand Binding Affinity Using Path and Endpoint Approaches [My Copy] Vol. 90, No. 3. (1 February 2006), pp. 864-877. by Michael S. Lee, Mark A. Olson posted to binding_affinity by arlam to the group Chang group on 2009-04-07 21:13:37 as
	Identification of amino acid residues critical for endonuclease and integration activities of HIV-1 IN protein in Vitro [My Copy] Virology, Vol. 188, No. 2. (June 1992), pp. 459-468. by M. Drelich posted to hiv-1_integrase by arlam to the group Chang group on 2009-03-09 18:00:06 as
	Residues critical for retroviral integrative recombination in a region that is highly conserved among retroviral/retrotransposon integrases and bacterial insertion sequence transposases. [My Copy] Mol. Cell. Biol., Vol. 12, No. 5. (1 May 1992), pp. 2331-2338. by J. Kulkosky, K. S. Jones, R. A. Katz, J. P. Mack, A. M. Skalka posted to hiv-1_integrase by arlam to the group Chang group on 2009-03-09 17:54:26 as
	Identification of conserved amino acid residues critical for human immunodeficiency virus type 1 integrase function in vitro. [My Copy] J. Virol., Vol. 66, No. 11. (1 November 1992), pp. 6361-6369. by A. Engelman, R. Craigie posted to hiv-1_integrase by arlam to the group Chang group on 2009-03-09 17:31:47 as
	BPB : Vol. 31 (2008) , No. 8 1552 [My Copy] BIOLOGICAL & PHARMACEUTICAL BULLETIN, Vol. 31, No. 8. (2008), pp. 1552-1558. by Yamaotsu posted to hydrophobic by arlam to the group Chang group on 2009-02-10 00:41:19 as
	CHEMISTRY: A Curious Antipathy for Water [My Copy] Science, Vol. 322, No. 5907. (5 December 2008), pp. 1477-1478. by Steve Granick, Sung C. Bae posted to hydrophobic by arlam to the group Chang group on 2009-02-07 00:58:15 as along with 2 people patvarilly kshundyak
	Scaling of Hydrophobic Solvation Free Energies [My Copy] J. Phys. Chem. B, Vol. 105, No. 28. (19 July 2001), pp. 6704-6709. by D. M. Huang, P. L. Geissler, D. Chandler posted to hydrophobic by arlam to the group Chang group on 2009-02-07 00:54:23 as along with 1 person and 1 group sobolevnrm baker-group
	Water as an Active Constituent in Cell Biology [My Copy] Chemical Reviews, Vol. 108, No. 1. (1 January 2008), pp. 74-108. by Philip Ball posted to water by arlam to the group Chang group on 2009-02-03 22:40:46 as
	The hydrophobic effect [My Copy] Phys. Chem. Chem. Phys., Vol. 5, No. 15. (2003), pp. 3085-3093. by B. Widom, P. Bhimalapuram, Kenichiro Koga posted to hydrophobic by arlam to the group Chang group on 2009-02-01 01:37:43 as along with 2 people softsimu sunrise
	Interfaces and the driving force of hydrophobic assembly [My Copy] Nature, Vol. 437, No. 7059. (28 September 2005), pp. 640-647. by David Chandler posted to hydrophobic by arlam to the group Chang group on 2009-02-01 01:32:15 as along with 8 people and 1 group softsimu mlg mijam sas apostola paulschlesinger mikaellund Elena_Zubova MuraLab
	Ligand configurational entropy and protein binding [My Copy] PNAS, Vol. 104, No. 5. (30 January 2007), pp. 1534-1539. by Chia-En A. Chang, Wei Chen, Michael K. Gilson posted to amprenavir by arlam to the group Chang group on 2009-01-27 21:38:12 as along with 2 people daevans dmobley
	From Ligand to Complexes: Inhibition of Human Immunodeficiency Virus Type 1 Integrase by β-Diketo Acid Metal Complexes [My Copy] Journal of Medicinal Chemistry, Vol. 49, No. 14. (1 July 2006), pp. 4248-4260. by Mario Sechi, Alessia Bacchi, Mauro Carcelli, et al.Carlotta Compari, Elenia Duce, Emilia Fisicaro, Dominga Rogolino, Paul Gates, Marco Derudas, Laith Q. Al-Mawsawi, Nouri Neamati posted to hiv-1_inhibitors by arlam to the group Chang group on 2009-01-27 19:47:36 as
	HIV-1 integrase inhibitors: 2005-2006 update [My Copy] Medicinal Research Reviews, Vol. 28, No. 1. (2008), pp. 118-154. by Raveendra Dayam, Rambabu Gundla, Laith Q. Al-Mawsawi, Nouri Neamati posted to hiv-1_integrase_inhibitors by arlam to the group Chang group on 2009-01-27 19:24:13 as
	Free energy, entropy, and induced fit in host-guest recognition: calculations with the second-generation mining minima algorithm. [My Copy] J Am Chem Soc, Vol. 126, No. 40. (13 October 2004), pp. 13156-13164. by C. E. Chang, M. K. Gilson posted to mining_minima by arlam to the group Chang group on 2009-01-27 17:02:51 as along with 3 people kentsis daevans dmobley
	Calculation of Cyclodextrin Binding Affinities: Energy, Entropy, and Implications for Drug Design [My Copy] Biophysical Journal, Vol. 87, No. 5. (1 November 2004), pp. 3035-3049. by W. Chen, C. Chang, M. Gilson posted to cyclodextrin_binding_affinities by arlam to the group Chang group on 2009-01-27 17:01:18 as along with 2 people flbarroso dmobley
	A Physical Chemists Expedition to Explore the World of Membrane Proteins [My Copy] Annual Review of Biophysics, Vol. 38, No. 1. (2009) by Sunney I. Chan posted to no-tag by cchang to the group Chang group on 2009-01-23 20:44:16 as
	Integrase, LEDGF/p75 and HIV replication [My Copy] Cellular and Molecular Life Sciences CMLS, Vol. 65, No. 9. (May 2008), pp. 1403-1424. by Poeschla, E. posted to hiv-1_integrase by arlam to the group Chang group on 2008-12-16 21:02:33 as
	Discovery of Raltegravir, a Potent, Selective Orally Bioavailable HIV-Integrase Inhibitor for the Treatment of HIV-AIDS Infection [My Copy] Journal of Medicinal Chemistry, Vol. 51, No. 18. (2008), pp. 5843-5855. by Vincenzo Summa, Alessia Petrocchi, Fabio Bonelli, et al.Benedetta Crescenzi, Monica Donghi, Marco Ferrara, Fabrizio Fiore, Cristina Gardelli, Gonzalez, Daria J. Hazuda, Philip Jones, Olaf Kinzel, Ralph Laufer, Edith Monteagudo, Ester Muraglia, Emanuela Nizi, Federica Orvieto, Paola Pace, Giovanna Pescatore, Rita Scarpelli, Kara Stillmock, Marc V. Witmer, Michael Rowley posted to mk-0518 by arlam to the group Chang group on 2008-12-08 17:33:54 as
	The catalytic domain of human immunodeficiency virus integrase: ordered active site in the F185H mutant [My Copy] FEBS Letters, Vol. 398, No. 2-3. (02 December 1996), pp. 175-178. by G. Bujacz posted to core_domain_hiv1 by arlam to the group Chang group on 2008-11-28 01:28:46 as
	Solution Structure of the DNA Binding Domain of HIV-1 Integrase [My Copy] Biochemistry, Vol. 34, No. 31. (1995), pp. 9826-9833. by Patricia J. Lodi, James A. Ernst, John Kuszewski, et al.Alison B. Hickman, Alan Engelman, Robert Craigie, Marius G. Clore, Angela M. Gronenborn posted to hiv-1 by arlam to the group Chang group on 2008-11-28 00:01:22 as
	Extraction of configurational entropy from molecular simulations via an expansion approximation [My Copy] The Journal of Chemical Physics, Vol. 127, No. 2. (2007) by Benjamin J. Killian, Joslyn Y. Kravitz, Michael K. Gilson posted to conformational_entropy by arlam to the group Chang group on 2008-10-28 20:22:39 as along with 1 person hmk
	(Thermo)dynamic role of receptor flexibility, entropy, and motional correlation in protein-ligand binding. [My Copy] Chemphyschem : a European journal of chemical physics and physical chemistry, Vol. 9, No. 7. (16 May 2008), pp. 983-988. by R. Baron, J. A. McCammon posted to binding by arlam to the group Chang group on 2008-10-28 20:06:57 as along with 2 people higueruelo rbaron
	Structural arrangement and dynamics of the hydrated Mg: An ab initio QM/MM molecular dynamics simulation [My Copy] Chemical Physics Letters, Vol. 409, No. 4-6. (30 June 2005), pp. 304-309. by A. Tongraar, B. Rode posted to mg2 by arlam to the group Chang group on 2008-10-04 01:29:06 as
	JBSD Online [My Copy] Journal of Biomolecular Structure and Dynamics, Vol. 20, No. 1. (2002), pp. 31-38. by Rao posted to 5citep_docking by arlam to the group Chang group on 2008-10-03 23:16:05 as
	Electrostatic screening in molecular dynamics simulations [My Copy] Protein Eng., Vol. 4, No. 8. (1 December 1991), pp. 911-917. by T. Solmajer, E. L. Mehler posted to dielectric by arlam to the group Chang group on 2008-09-24 21:04:57 as
	Comparison of Raltegravir and Elvitegravir on HIV-1 Integrase Catalytic Reactions and on a Series of Drug-Resistant Integrase Mutants [My Copy] Biochemistry, Vol. 47, No. 36. (9 September 2008), pp. 9345-9354. by Jessica Marinello, Christophe Marchand, Bryan T. Mott, Anjali Bain, Craig J. Thomas, Yves Pommier posted to hiv-1_mutant by arlam to the group Chang group on 2008-09-24 16:17:26 as
	Modeling of metal interaction geometries for protein-ligand docking [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2007), NA. by Birte Seebeck, Ingo Reulecke, Andreas Kämper, Matthias Rarey posted to metal_docking by arlam to the group Chang group on 2008-09-23 17:29:26 as along with 2 people and 1 group BragilMassoud sobolevnrm baker-group
	Structure of an HIV gp120 envelope glycoprotein in complex with the CD4 receptor and a neutralizing human antibody. [My Copy] Nature, Vol. 393, No. 6686. (18 June 1998), pp. 648-659. by P. D. Kwong, R. Wyatt, J. Robinson, R. W. Sweet, J. Sodroski, W. A. Hendrickson posted to gp120_hiv by arlam to the group Chang group on 2008-09-17 17:09:49 as along with 1 person cpiscitelli
	Molecular architecture of native HIV-1 gp120 trimers [My Copy] Nature (30 July 2008) by Jun Liu, Alberto Bartesaghi, Mario J. Borgnia, Guillermo Sapiro, Sriram Subramaniam posted to gp120 by arlam to the group Chang group on 2008-09-17 16:40:41 as
	Blind docking of drug-sized compounds to proteins with up to a thousand residues [My Copy] FEBS Letters, Vol. 580, No. 5. (20 February 2006), pp. 1447-1450. by Csaba Hetényi, David van der Spoel posted to blind_docking by arlam to the group Chang group on 2008-09-16 01:15:39 as
	Theoretical study on the HIV-1 integrase inhibitor 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-propenone (5CITEP) [My Copy] Journal of Molecular Structure In STUDIES IN HYDROGEN-BONDED SYSTEMS - A collection of Invited Papers in honour of Professor Lucjan Sobcyk, on the occasion of his 80th Birthday, Vol. 844-845 (12 November 2007), pp. 208-214. by Nadtanet Nunthaboot, Somsak Pianwanit, Vudhichai Parasuk, Sirirat Kokpol, Peter Wolschann posted to 5citep_hiv by arlam to the group Chang group on 2008-09-16 00:43:39 as
	Binding modes of two novel dinucleotide inhibitors of HIV-1 integrase [My Copy] Bioorganic & Medicinal Chemistry Letters, Vol. 12, No. 16. (19 August 2002), pp. 2233-2236. by Sven Guenther, Vasu Nair posted to binding_modes_hiv_integrase by arlam to the group Chang group on 2008-09-12 17:40:21 as
	Accounting for ligand-bound metal ions in docking small molecules on adenylyl cyclase toxins [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 67, No. 3. (2007), pp. 593-605. by Deliang Chen, Gerd Menche, Trevor D. Power, Laurie Sower, Johnny W. Peterson, Catherine H. Schein posted to metal_ions_docking by arlam to the group Chang group on 2008-09-10 15:57:42 as
	Solvated docking: introducing water into the modelling of biomolecular complexes. [My Copy] Bioinformatics (9 August 2006) by Aalt D J D. van Dijk, Alexandre M J J M. Bonvin posted to docking_water by arlam to the group Chang group on 2008-09-08 20:35:16 as along with 5 people msuarezdiez BragilMassoud bicko jteyra Lombardo_7
	Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function [My Copy] Journal of Computational Chemistry, Vol. 19, No. 14. (6 January 1998), pp. 1639-1662. by Garrett M. Morris, David S. Goodsell, Robert S. Halliday, et al.Ruth Huey, William E. Hart, Richard K. Belew, Arthur J. Olson posted to docking_lamarckian by arlam to the group Chang group on 2008-09-08 20:24:21 as along with 23 people and 1 group trishul nickolay npt11tpn jamalex joule lna Lombardo_7 karinaecomp oteri A_Coletta_Thesis dgruiz nachtalp P2324548 yongzhao peprovy tovrstra papatonyhill schlauchi carlescorbi middledomain LamBras andreramme UVA_mag_res TSRI_MGL
	Molecular evolution of affinity and flexibility in the immune system [My Copy] Proceedings of the National Academy of Sciences, Vol. 104, No. 21. (22 May 2007), pp. 8821-8826. by Ian F. Thorpe, Charles L. Brooks posted to binding energy_entropy md protein_conformations protein_dynamics by cchang to the group Chang group on 2008-09-08 19:52:52 as along with 1 person dmobley
	HIV Integrase, a Brief Overview from Chemistry to Therapeutics [My Copy] J. Biol. Chem., Vol. 276, No. 26. (22 June 2001), pp. 23213-23216. by Robert Craigie posted to hiv-1_integrase_review by arlam to the group Chang group on 2008-09-07 01:13:59 as
	Metal-Dependent Inhibition of HIV-1 Integrase [My Copy] J. Med. Chem., Vol. 45, No. 26. (19 December 2002), pp. 5661-5670. by N. Neamati, Z. Lin, R. G. Karki, et al.A. Orr, K. Cowansage, D. Strumberg, G. C. G. Pais, J. H. Voigt, M. C. Nicklaus, H. E. Winslow, H. Zhao, J. A. Turpin, J. Yi, A. M. Skalka, T. R. Burke, Y. Pommier posted to metal_dependent_hiv by arlam to the group Chang group on 2008-09-02 17:52:44 as
	The Arrangement of First- and Second-shell Water Molecules Around Metal Ions: Effects of Charge and Size [My Copy] Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), Vol. 115, No. 2. (28 March 2006), pp. 100-112. by Charles Bock, George Markham, Amy Katz, Jenny Glusker posted to water_metals_charges by arlam to the group Chang group on 2008-09-01 21:26:02 as
	The influence of polarization functions on molecular orbital hydrogenation energies [My Copy] Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), Vol. 28, No. 3. (1973), pp. 213-222. by P. C. Hariharan, J. A. Pople posted to many_electron_systems by arlam to the group Chang group on 2008-09-01 19:07:25 as along with 1 person ferspa740
	Note on an Approximation Treatment for Many-Electron Systems [My Copy] Physical Review, Vol. 46, No. 7. (1 October 1934), 618. by Chr Møller, M. S. Plesset posted to many_electrons_systems by arlam to the group Chang group on 2008-09-01 18:58:44 as along with 2 people tovrstra Lombardo_7

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hiv-1_integrase	22
binding	13
energy_entropy	8
md	8
free_energy_protein	7
review	6
drug	5
hydrophobic	5
hiv-1	4
pka	4
qmmm	4
binding_affinity	3
design	3
gs-9137	3
histidines	3
protein_conformations	3
protein_dynamics	3
tautomerism	3
docking	2
entropy	2
histidine	2
hiv-1_inhibitors	2
hiv-1_protease	2
hiv_integrase	2
mk-0518	2
nmr	2
tautomeric	2
trps	2
tryptophan_synthase	2
vdock	2
2009	1
5citep	1
5citep_binding_modes	1
5citep_docking	1
5citep_first_time	1
5citep_hiv	1
acetylation	1
active	1
active_site	1
aids_treatment	1
allosteric_regulation	1
allostery	1
amprenavir	1
anhydrase	1
asv_integrase	1
binding_dna_domain_hiv-1_integrase	1
binding_modes_hiv_integrase	1
blind_docking	1
carbonic	1
catalysis	1
catalytic_activity	1
catalytic_crystal_domain	1
computational_design	1
computer_aided_design	1
conformational_change	1
conformational_changes	1
conformational_dynamics	1
conformational_entropy	1
cooperativity	1
core_domain_hiv1	1
cyclodextrin_binding_affinities	1
density_functional	1
deprotonation_mg	1
dft	1
dft_mg	1
dielectric	1
diketo_acid	1
dipeptides	1
docking_lamarckian	1
docking_water	1
dynamics	1
electrostatics	1
enantiomer	1
enthalpic_entropic	1
enzyme	1
enzyme_catalysis	1
experiment	1
free_energy	1
geminal_disulfone	1
gp120	1
gp120_hiv	1
hartree-fock	1
hiv	1
hiv-1_integrase_inhibitors	1
hiv-1_integrase_review	1
hiv-1_mutant	1
hydrogen-bonding	1
inhibitors_integrase	1
interaction_energy	1
lead	1
ledgfp75	1
ligand	1
ligand_induced_conformational_changes	1
many_electrons_systems	1
many_electron_systems	1
md_simulation	1
metal_dependent_hiv	1
metal_docking	1
metal_ions_docking	1
mg2	1
mg_asp	1
mining_minima	1
minocycline	1
monovalent	1
monovalent_cation	1
mutation	1
optimization	1
plp	1
protein	1
protein_crystallography	1
protein_crystal_structure	1
protein-ligand	1
protein_protein_interactions	1
proteins	1
pyridoxal-5-phosphate	1
qm	1
simulation	1
site	1
solid-state-nmr	1
solution--state-nmr	1
solvation	1
state	1
structure_and_function	1
substrate-channeling	1
synergistic_regulation	1
trpsx-ray_crystallography	1
tryptophan-synthase	1
water	1
water_metals_charges	1
zinc	1

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