-
1
-
-
38849196324
-
Water as an active constituent in cell biology
-
Ball, P. (2007) Water as an active constituent in cell biology. Chem. Rev., 108, 74-108.
-
(2007)
Chem. Rev.
, vol.108
, pp. 74-108
-
-
Ball, P.1
-
2
-
-
77952825581
-
A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking
-
Ballester, P.J. and Mitchell, J.B. (2010) A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking. Bioinformatics, 26, 1169-1175.
-
(2010)
Bioinformatics
, vol.26
, pp. 1169-1175
-
-
Ballester, P.J.1
Mitchell, J.B.2
-
4
-
-
0030574268
-
Structure-based drug design
-
Blundell, T.L. (1996) Structure-based drug design. Nature, 384(Suppl 6604), 23-26.
-
(1996)
Nature
, vol.384
, Issue.SUPPL. 6604
, pp. 23-26
-
-
Blundell, T.L.1
-
5
-
-
0032112137
-
Prediction of binding constants of protein ligands: A fast method for the prioritization of hits obtained from de novo design or 3D database search programs
-
Bohm, H.J. (1998) Prediction of binding constants of protein ligands: a fast method for the prioritization of hits obtained from de novo design or 3D database search programs. J. Comput. Aided Mol. Des., 12, 309-323.
-
(1998)
J. Comput. Aided Mol. Des.
, vol.12
, pp. 309-323
-
-
Bohm, H.J.1
-
6
-
-
0028454828
-
The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure
-
Bohm, H.J. (1994) The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure. J. Comput. Aided Mol. Des., 8, 243-256.
-
(1994)
J. Comput. Aided Mol. Des.
, vol.8
, pp. 243-256
-
-
Bohm, H.J.1
-
7
-
-
84986512474
-
CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
-
Brooks, B. et al. (1983) CHARMM: a program for macromolecular energy, minimization, and dynamics calculations. J. Comput. Chem., 4, 187-217.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187-217
-
-
Brooks, B.1
-
8
-
-
26944481188
-
Interfaces and the driving force of hydrophobic assembly
-
Chandler, D. (2005) Interfaces and the driving force of hydrophobic assembly. Nature, 437, 640-647.
-
(2005)
Nature
, vol.437
, pp. 640-647
-
-
Chandler, D.1
-
9
-
-
0032537184
-
Surface topography dependence of biomolecu-lar hydrophobic hydration
-
Cheng, Y.K. and Rossky, P.J. (1998) Surface topography dependence of biomolecu-lar hydrophobic hydration. Nature 1998, 392, 696-699.
-
(1998)
Nature 1998
, vol.392
, pp. 696-699
-
-
Cheng, Y.K.1
Rossky, P.J.2
-
10
-
-
66149103553
-
Comparative assessment of scoring functions on a diverse test set
-
Cheng, T. et al. (2009) Comparative assessment of scoring functions on a diverse test set. J. Chem. Inf. Model, 49, 1079-1093.
-
(2009)
J. Chem. Inf. Model
, vol.49
, pp. 1079-1093
-
-
Cheng, T.1
-
11
-
-
0017187836
-
The nature of the accessible and buried surfaces in proteins
-
Chothia, C. (1976) The nature of the accessible and buried surfaces in proteins. J. Mol. Biol., 105, 1-12.
-
(1976)
J. Mol. Biol.
, vol.105
, pp. 1-12
-
-
Chothia, C.1
-
12
-
-
0031226772
-
Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
-
Eldridge, M.D. et al. (1997) Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes. J. Comput. Aided Mol. Des., 11, 425-445.
-
(1997)
J. Comput. Aided Mol. Des.
, vol.11
, pp. 425-445
-
-
Eldridge, M.D.1
-
13
-
-
0035025191
-
DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases
-
Ewing, T.J. et al. (2001) DOCK 4.0: search strategies for automated molecular docking of flexible molecule databases. J. Comput. Aided Mol. Des., 15, 411-428.
-
(2001)
J. Comput. Aided Mol. Des.
, vol.15
, pp. 411-428
-
-
Ewing, T.J.1
-
14
-
-
74849120001
-
Oil/water transfer is partly driven by molecular shape, not just size
-
Fennell, C.J. et al. (2010) Oil/water transfer is partly driven by molecular shape, not just size. J. Am. Chem. Soc., 132, 234-240.
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 234-240
-
-
Fennell, C.J.1
-
15
-
-
36849117971
-
Free volume and entropy in condensed systems III. Entropy in binary liquid mixtures; Partial molal entropy in dilute solutions; Structure and thermodynamics in aqueous electrolytes
-
Frank, H. and Evans, M. (1945) Free volume and entropy in condensed systems III. Entropy in binary liquid mixtures; partial molal entropy in dilute solutions; structure and thermodynamics in aqueous electrolytes. J. Chem. Phys., 13, 507-532.
-
(1945)
J. Chem. Phys.
, vol.13
, pp. 507-532
-
-
Frank, H.1
Evans, M.2
-
16
-
-
33750124980
-
Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes
-
Friesner, R.A. et al. (2006) Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes. J. Med. Chem., 49, 6177-6196.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 6177-6196
-
-
Friesner, R.A.1
-
17
-
-
12144289984
-
Glide: A new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy
-
Friesner, R.A. et al. (2004) Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy. J. Med. Chem., 47, 1739-1749.
-
(2004)
J. Med. Chem.
, vol.47
, pp. 1739-1749
-
-
Friesner, R.A.1
-
18
-
-
0029294584
-
Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: Conformationally flexible docking by evolutionary programming
-
Gehlhaar, D.K. et al. (1995) Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming. Chem. Biol., 2, 317-324.
-
(1995)
Chem. Biol.
, vol.2
, pp. 317-324
-
-
Gehlhaar, D.K.1
-
19
-
-
0034645763
-
Knowledge-based scoring function to predict protein-ligand interactions
-
Gohlke, H. et al. (2000) Knowledge-based scoring function to predict protein-ligand interactions. J. Mol. Biol., 295, 337-356.
-
(2000)
J. Mol. Biol.
, vol.295
, pp. 337-356
-
-
Gohlke, H.1
-
20
-
-
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. J. Med. Chem., 28, 849-857.
-
(1985)
J. Med. Chem.
, vol.28
, pp. 849-857
-
-
Goodford, P.J.1
-
21
-
-
0141560569
-
Entropy convergence in hydrophobic hydration: A scaled particle theory analysis
-
Graziano, G. and Lee, B. (2003) Entropy convergence in hydrophobic hydration: a scaled particle theory analysis. Biophys. Chem., 105, 241-250.
-
(2003)
Biophys. Chem.
, vol.105
, pp. 241-250
-
-
Graziano, G.1
Lee, B.2
-
22
-
-
77649221514
-
Inclusion of solvation and entropy in the knowledge-based scoring function for protein-ligand interactions
-
Huang, S.Y. and Zou, X. (2010) Inclusion of solvation and entropy in the knowledge-based scoring function for protein-ligand interactions. J. Chem. Inf. Model, 50, 262-273.
-
(2010)
J. Chem. Inf. Model
, vol.50
, pp. 262-273
-
-
Huang, S.Y.1
Zou, X.2
-
23
-
-
77957898063
-
Scoring functions and their evaluation methods for pro-tein-ligand docking: Recent advances and future directions
-
Huang, S.-Y. et al. (2010) Scoring functions and their evaluation methods for pro-tein-ligand docking: recent advances and future directions. Phys. Chem., 12, 12899-12908.
-
(2010)
Phys. Chem.
, vol.12
, pp. 12899-12908
-
-
Huang, S.-Y.1
-
24
-
-
0030255303
-
Scoring noncovalent protein-ligand interactions: A continuous dif-ferentiable function tuned to compute binding affinities
-
Jain, A.N. (1996) Scoring noncovalent protein-ligand interactions: a continuous dif-ferentiable function tuned to compute binding affinities. J. Comput. Aided Mol. Des., 10, 427-440.
-
(1996)
J. Comput. Aided Mol. Des.
, vol.10
, pp. 427-440
-
-
Jain, A.N.1
-
25
-
-
0008863560
-
Some factors in the interpretation of protein denaturation
-
Kauzmann, W. (1959) Some factors in the interpretation of protein denaturation. Adv. Protein chem., 14, 1-63.
-
(1959)
Adv. Protein Chem.
, vol.14
, pp. 1-63
-
-
Kauzmann, W.1
-
26
-
-
0031673012
-
Efficient collision detection using bounding volume hierarchies of k-DOPs
-
Klosowski, J.T. et al. (1998) Efficient collision detection using bounding volume hierarchies of k-DOPs. IEEE Trans. Visual. Comput. Graph., 4, 21-36.
-
(1998)
IEEE Trans. Visual. Comput. Graph.
, vol.4
, pp. 21-36
-
-
Klosowski, J.T.1
-
27
-
-
84883247468
-
Lessons learned in empirical scoring with smina from the CSAR 2011 benchmarking exercise
-
Koes, D.R., Baumgartner, M.P. and Camacho, C.J. (2013) Lessons learned in empirical scoring with smina from the CSAR 2011 benchmarking exercise. J. Chem. Inf. Model, 53, 1893-1904.
-
(2013)
J. Chem. Inf. Model
, vol.53
, pp. 1893-1904
-
-
Koes, D.R.1
Baumgartner, M.P.2
Camacho, C.J.3
-
28
-
-
62449330667
-
Empirical scoring functions for advanced protein-ligand docking with PLANTS
-
Korb, O. et al. (2009) Empirical scoring functions for advanced protein-ligand docking with PLANTS. J. Chem. Inf. Model, 49, 84-96.
-
(2009)
J. Chem. Inf. Model
, vol.49
, pp. 84-96
-
-
Korb, O.1
-
29
-
-
15244346501
-
LigScore: A novel scoring function for predicting binding affinities
-
Krammer, A. et al. (2005) LigScore: a novel scoring function for predicting binding affinities. J. Mol. Graph Model, 23, 395-407.
-
(2005)
J. Mol. Graph Model
, vol.23
, pp. 395-407
-
-
Krammer, A.1
-
30
-
-
0026730489
-
Structure-based strategies for drug design and discovery
-
Kuntz, I.D. (1992) Structure-based strategies for drug design and discovery. Science, 257, 1078-1082.
-
(1992)
Science
, vol.257
, pp. 1078-1082
-
-
Kuntz, I.D.1
-
31
-
-
33744821352
-
Electrostatics of ligand binding: Parametrization of the generalized Born model and comparison with the Poisson-Boltzmann approach
-
Liu, H.Y. and Zou, X. (2006) Electrostatics of ligand binding: parametrization of the generalized Born model and comparison with the Poisson-Boltzmann approach. J. Phys. Chem. B, 110, 9304-9313.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 9304-9313
-
-
Liu, H.Y.1
Zou, X.2
-
32
-
-
0011960339
-
Hydrophobicity at small and large length scales
-
Lum, K. et al. (1999) Hydrophobicity at small and large length scales. J. Phys. Chem. B, 103, 4570-4577.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 4570-4577
-
-
Lum, K.1
-
33
-
-
0242417008
-
Interactions with aromatic rings in chemical and biological recognition
-
Meyer, E. et al. (2003) Interactions with aromatic rings in chemical and biological recognition. Angewandte Chemie International Edition, 42, 1210-1250.
-
(2003)
Angewandte Chemie International Edition
, vol.42
, pp. 1210-1250
-
-
Meyer, E.1
-
34
-
-
26444468103
-
General and targeted statistical potentials for protein-ligand interactions
-
Mooij, W.T. and Verdonk, M.L. (2005) General and targeted statistical potentials for protein-ligand interactions. Proteins, 61, 272-287.
-
(2005)
Proteins
, vol.61
, pp. 272-287
-
-
Mooij, W.T.1
Verdonk, M.L.2
-
35
-
-
0030203710
-
Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4
-
Morris, G.M. et al. (1996) Distributed automated docking of flexible ligands to proteins: parallel applications of AutoDock 2.4. J. Comput. Aided Mol. Des., 10, 293-304.
-
(1996)
J. Comput. Aided Mol. Des.
, vol.10
, pp. 293-304
-
-
Morris, G.M.1
-
36
-
-
33845873363
-
Development and validation of a modular, extensible docking program: DOCK 5
-
Moustakas, D.T. et al. (2006) Development and validation of a modular, extensible docking program: DOCK 5. J. Comput. Aided Mol. Des., 20, 601-619.
-
(2006)
J. Comput. Aided Mol. Des.
, vol.20
, pp. 601-619
-
-
Moustakas, D.T.1
-
37
-
-
33749242403
-
PMF scoring revisited
-
Muegge, I. (2006) PMF scoring revisited. J. Med. Chem., 49, 5895-5902.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 5895-5902
-
-
Muegge, I.1
-
38
-
-
0033545622
-
A general and fast scoring function for protein-ligand interactions: A simplified potential approach
-
Muegge, I. and Martin, Y.C. (1999) A general and fast scoring function for protein-ligand interactions: a simplified potential approach. J. Med. Chem., 42, 791-804.
-
(1999)
J. Med. Chem.
, vol.42
, pp. 791-804
-
-
Muegge, I.1
Martin, Y.C.2
-
39
-
-
80054943835
-
DSX: A knowledge-based scoring function for the assessment of protein-ligand complexes
-
Neudert, G. and Klebe, G. (2011) DSX: a knowledge-based scoring function for the assessment of protein-ligand complexes. J. Chem. Inf. Model, 51, 2731-2745.
-
(2011)
J. Chem. Inf. Model
, vol.51
, pp. 2731-2745
-
-
Neudert, G.1
Klebe, G.2
-
40
-
-
0026319199
-
Protein folding and association: Insights from the interfacial and thermodynamic properties of hydrocarbons
-
Nicholls, A. et al. (1991) Protein folding and association: insights from the interfacial and thermodynamic properties of hydrocarbons. Proteins, 11, 281-296.
-
(1991)
Proteins
, vol.11
, pp. 281-296
-
-
Nicholls, A.1
-
41
-
-
0034486196
-
Free energy determinants of tertiary structure and the evaluation of protein models
-
Petrey, D. and Honig, B. (2000) Free energy determinants of tertiary structure and the evaluation of protein models. Protein Sci., 9, 2181-2191.
-
(2000)
Protein Sci.
, vol.9
, pp. 2181-2191
-
-
Petrey, D.1
Honig, B.2
-
42
-
-
36749120002
-
Theory of the hydrophobic effect
-
Pratt, L. and Chandler, D. (1977) Theory of the hydrophobic effect. J. Chem. Phys., 67, 3683-3704.
-
(1977)
J. Chem. Phys.
, vol.67
, pp. 3683-3704
-
-
Pratt, L.1
Chandler, D.2
-
43
-
-
22144481993
-
Hydrophobic hydration from small to large lengthscales: Understanding and manipulating the crossover
-
Rajamani, S. et al. (2005) Hydrophobic hydration from small to large lengthscales: Understanding and manipulating the crossover. Proc. Natl Acad. Sci. USA, 102, 9475-9480.
-
(2005)
Proc. Natl Acad. Sci. USA
, vol.102
, pp. 9475-9480
-
-
Rajamani, S.1
-
44
-
-
33845986373
-
Critical evaluation of methods to incorporate entropy loss upon binding in high-throughput docking
-
Salaniwal, S. et al. (2007) Critical evaluation of methods to incorporate entropy loss upon binding in high-throughput docking. Proteins, 66, 422-435.
-
(2007)
Proteins
, vol.66
, pp. 422-435
-
-
Salaniwal, S.1
-
45
-
-
70350751573
-
Dewetting-controlled binding of ligands to hydrophobic pockets
-
Setny, P. et al. (2009) Dewetting-controlled binding of ligands to hydrophobic pockets. Phys. Rev. Lett., 103, 187801.
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 187801
-
-
Setny, P.1
-
46
-
-
0026416668
-
Reconciling the magnitude of the microscopic and macroscopic hydrophobic effects
-
Sharp, K.A. et al. (1991) Reconciling the magnitude of the microscopic and macroscopic hydrophobic effects. Science, 252, 106-109.
-
(1991)
Science
, vol.252
, pp. 106-109
-
-
Sharp, K.A.1
-
47
-
-
0032939345
-
Ligand solvation in molecular docking
-
Shoichet, B.K. et al. (1999) Ligand solvation in molecular docking. Proteins, 34, 4-16.
-
(1999)
Proteins
, vol.34
, pp. 4-16
-
-
Shoichet, B.K.1
-
48
-
-
0015866154
-
Environment and exposure to solvent of protein atoms. Lysozyme and insulin
-
Shrake, A. and Rupley, J.A. (1973) Environment and exposure to solvent of protein atoms. Lysozyme and insulin. J. Mol. Biol., 79, 351-371.
-
(1973)
J. Mol. Biol.
, vol.79
, pp. 351-371
-
-
Shrake, A.1
Rupley, J.A.2
-
49
-
-
0001764065
-
Microscopic surface tension down to molecular dimensions and microthermodynamic surface areas of molecules or clusters
-
Sinanoglu, O. (1981) Microscopic surface tension down to molecular dimensions and microthermodynamic surface areas of molecules or clusters. J. Chem. Phys., 75, 463-468.
-
(1981)
J. Chem. Phys.
, vol.75
, pp. 463-468
-
-
Sinanoglu, O.1
-
50
-
-
84900467715
-
Is it the shape of the cavity, or the shape of the water in the cavity?
-
Snyder, P. et al. (2013) Is it the shape of the cavity, or the shape of the water in the cavity? Eur. Phys. J. Spec. Top., 1-39.
-
(2013)
Eur. Phys. J. Spec. Top
, pp. 1-39
-
-
Snyder, P.1
-
51
-
-
81055130316
-
Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase
-
Snyder, P.W. et al. (2011) Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase. Proc. Natl Acad. Sci. USA, 108, 17889-17894.
-
(2011)
Proc. Natl Acad. Sci. USA
, vol.108
, pp. 17889-17894
-
-
Snyder, P.W.1
-
52
-
-
0037165448
-
A view of the hydrophobic effect
-
Southall, N. et al. (2001) A view of the hydrophobic effect. J. Phys. Chem. B, 106, 521-533.
-
(2001)
J. Phys. Chem. B
, vol.106
, pp. 521-533
-
-
Southall, N.1
-
53
-
-
34250434907
-
Structure in aqueous solutions of nonpolar solutes from the standpoint of scaled-particle theory
-
Stillinger, F. (1973) Structure in aqueous solutions of nonpolar solutes from the standpoint of scaled-particle theory. J. Sol. Chem., 2, 141-158.
-
(1973)
J. Sol. Chem.
, vol.2
, pp. 141-158
-
-
Stillinger, F.1
-
54
-
-
0018318966
-
Interfacial free energy and the hydrophobic effect
-
Tanford, C. (1979) Interfacial free energy and the hydrophobic effect. Proc. Natl Acad. Sci. USA, 76, 4175-4176.
-
(1979)
Proc. Natl Acad. Sci. USA
, vol.76
, pp. 4175-4176
-
-
Tanford, C.1
-
55
-
-
79952148691
-
PHOENIX: A scoring function for affinity prediction derived using high-resolution crystal structures and calorimetry measurements
-
Tang, Y.T. and Marshall, G.R. (2011) PHOENIX: a scoring function for affinity prediction derived using high-resolution crystal structures and calorimetry measurements. J. Chem. Inf. Model, 51, 214-228.
-
(2011)
J. Chem. Inf. Model
, vol.51
, pp. 214-228
-
-
Tang, Y.T.1
Marshall, G.R.2
-
56
-
-
34147162778
-
The effect of droplet size on surface tension
-
Tolman, R.C. (1949) The effect of droplet size on surface tension. J. Chem. Phys., 17, 5.
-
(1949)
J. Chem. Phys.
, vol.17
, pp. 5
-
-
Tolman, R.C.1
-
57
-
-
26444588137
-
DrugScore(CSD)-knowledge-based scoring function derived from small molecule crystal data with superior recognition rate of near-native ligand poses and better affinity prediction
-
Velec, H.F. et al. (2005) DrugScore(CSD)-knowledge-based scoring function derived from small molecule crystal data with superior recognition rate of near-native ligand poses and better affinity prediction. J. Med. Chem., 48, 6296-6303.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 6296-6303
-
-
Velec, H.F.1
-
58
-
-
0036022960
-
Further development and validation of empirical scoring functions for structure-based binding affinity prediction
-
Wang, R. et al. (2002) Further development and validation of empirical scoring functions for structure-based binding affinity prediction. J. Comput. Aided Mol. Des., 16, 11-26.
-
(2002)
J. Comput. Aided Mol. Des.
, vol.16
, pp. 11-26
-
-
Wang, R.1
-
59
-
-
2542530042
-
The PDBbind database: Collection of binding affinities for protein-ligand complexes with known three-dimensional structures
-
Wang, R. et al. (2004) The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures. J. Med. Chem., 47, 2977-2980.
-
(2004)
J. Med. Chem.
, vol.47
, pp. 2977-2980
-
-
Wang, R.1
-
60
-
-
20444422149
-
The PDBbind database: Methodologies and updates
-
Wang, R. et al. (2005) The PDBbind database: methodologies and updates. J. Med. Chem., 48, 4111-4119.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 4111-4119
-
-
Wang, R.1
-
61
-
-
0036382728
-
A model binding site for testing scoring functions in molecular docking
-
Wei, B.Q. et al. (2002) A model binding site for testing scoring functions in molecular docking. J. Mol. Biol., 322, 339-355.
-
(2002)
J. Mol. Biol.
, vol.322
, pp. 339-355
-
-
Wei, B.Q.1
-
62
-
-
17144383951
-
A knowledge-based energy function for protein-ligand, protein-protein, and protein-DNA complexes
-
Zhang, C. et al. (2005) A knowledge-based energy function for protein-ligand, protein-protein, and protein-DNA complexes. J. Med. Chem., 48, 2325-2335.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 2325-2335
-
-
Zhang, C.1
-
63
-
-
84878201814
-
Development of the knowledge-based and empirical combined scoring algorithm (kecsa) to score protein-ligand interactions
-
Zheng, Z. and Merz, K.M. Jr (2013) Development of the knowledge-based and empirical combined scoring algorithm (kecsa) to score protein-ligand interactions. J. Chem. Inf. Model, 53, 1073-1083.
-
(2013)
J. Chem. Inf. Model
, vol.53
, pp. 1073-1083
-
-
Zheng, Z.1
Merz, Jr.K.M.2
-
64
-
-
80054694711
-
GOAP: A generalized orientation-dependent, allatom statistical potential for protein structure prediction
-
Zhou, H. and Skolnick, J. (2011) GOAP: a generalized orientation- dependent, allatom statistical potential for protein structure prediction. Biophys. J., 101, 2043-2052.
-
(2011)
Biophys. J.
, vol.101
, pp. 2043-2052
-
-
Zhou, H.1
Skolnick, J.2
|