dfgreen's Kuntz:ID [8 articles] Export

Recent papers posted to dfgreen's library by the author Kuntz:ID. You can also see everyone's Kuntz:ID.

	A geometric approach to macromolecule-ligand interactions. [My Copy] J Mol Biol, Vol. 161, No. 2. (25 October 1982), pp. 269-288. by I. D. Kuntz, J. M. Blaney, S. J. Oatley, R. Langridge, T. E. Ferrin posted to design docking ligand by dfgreen on 2009-01-09 02:59:20 as along with 3 people Diego_Prada BragilMassoud kazemi
	Estimation of Absolute Free Energies of Hydration Using Continuum Methods: Accuracy of Partial Charge Models and Optimization of Nonpolar Contributions [My Copy] Journal of Chemical Theory and Computation, Vol. 2, No. 1. (1 January 2006), pp. 128-139. by Robert C. Rizzo, Tiba Aynechi, David A. Case, Irwin D. Kuntz posted to charges electrostatics generalized-born hydrophobic solvation by dfgreen on 2009-01-08 20:18:55 as
	Automated site-directed drug design using molecular lattices. [My Copy] Journal of molecular graphics, Vol. 10, No. 2. (June 1992) by R. A. Lewis, D. C. Roe, C. Huang, T. E. Ferrin, R. Langridge, I. D. Kuntz posted to design ligand by dfgreen on 2009-01-08 02:24:53 as
	BUILDER v.2: improving the chemistry of a de novo design strategy. [My Copy] Journal of computer-aided molecular design, Vol. 9, No. 3. (June 1995), pp. 269-282. by D. C. Roe, I. D. Kuntz posted to design ligand by dfgreen on 2009-01-08 02:19:59 as
	Structure-based molecular design [My Copy] Accounts of Chemical Research, Vol. 27, No. 5. (1994), pp. 117-123. by Irwin D. Kuntz, Elaine C. Meng, Brian K. Shoichet posted to file-import-09-01-07b by dfgreen on 2009-01-07 18:52:11 as
	Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure [My Copy] Journal of Medicinal Chemistry, Vol. 31 (1988), pp. 722-729. by Renee L. Desjarlais, Robert P. Sheridan, George L. Seibel, Scott J. Dixon, Irwin D. Kuntz, R. Venkataraghavan posted to file-import-09-01-07b by dfgreen on 2009-01-07 18:52:10 as
	Docking flexible ligands to macromolecular receptors by molecular shape [My Copy] Journal of Medicinal Chemistry, Vol. 29 (1986), pp. 2149-2153. by Renee L. Desjarlais, Robert P. Sheridan, Scott J. Dixon, Irwin D. Kuntz, R. Venkataraghavan posted to file-import-09-01-07b by dfgreen on 2009-01-07 18:52:10 as
	Pairwise GB/SA scoring function for structure-based drug design [My Copy] Journal of Physical Chemistry B, Vol. 108 (2004), pp. 5453-5462. by Hao Y. Liu, Irwin D. Kuntz, Xiaoqin Zou posted to file-import-09-01-07b by dfgreen on 2009-01-07 18:52:04 as

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file-import-09-01-07b	274
electrostatics	96
protein	90
design	63
dynamics	47
molecular	47
ligand	46
solvation	44
binding	39
packing	19
quantum-mechanics	19
charges	18
optimization	18
free-energy	17
pka	17
interactions	17
review	17
perturbation	16
ab-initio	15
force-fields	15
generalized-born	13
hydrophobic	13
protein-protein	11
engineering	11
software	11
stability	9
specificity	9
structure	7
poisson-boltzmann	7
conformational	6
biopharmaceuticals	6
carbohydrate	6
enzyme	5
docking	5
catalysis	4
sequence	4
biology	4
preferences	4
systems	4
dna	4
homology	4
linear-programming	3
kinetics	3
entropy	3
semi-empirical	3
quadratic-programming	3
protonation	2
water	2
monte-carlo	2
visualization	2
structure-prediction	2
continuum-vdw	2
rna	2
folding	1
membrane-association	1
vibrational	1
calmodulin	1
phylogeny	1
resistance	1
hierarchicies	1
mean-field	1
rna-protein	1
harmonics	1
g-protein	1
dissociation	1
brownian	1
proteomics	1
analysis	1
action-at-a-distance	1
effect	1
atp	1
allostery	1
electrochemistry	1
text	1
senstivity	1

dfgreen's Kuntz:ID [8 articles] Export

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