-
1
-
-
1542784335
-
Open Chain Compounds with Preferred Conformations
-
Göttlich, R.; Kahrs, C. B.; Krüger, J.; Hoffmann, R. W. Open Chain Compounds with Preferred Conformations. Chem. Commun. 1997, 247-251.
-
(1997)
Chem. Commun.
, pp. 247-251
-
-
Göttlich, R.1
Kahrs, C.B.2
Krüger, J.3
Hoffmann, R.W.4
-
2
-
-
84986437005
-
Macro-Model- an Integrated Software System for Modeling Organic and Bioorganic Molecules using Molecular Mechanics
-
Mohamedi, F.; Richards, N. G. J.; Guida, W. C.; Liskamp, R.; Lipton, M.; Caufield, C.; Chang, G.; Hendrickson, T.; Still, W. C. Macro-Model- an Integrated Software System for Modeling Organic and Bioorganic Molecules using Molecular Mechanics. J. Comput. Chem. 1990, 11, 440-467.
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 440-467
-
-
Mohamedi, F.1
Richards, N.G.J.2
Guida, W.C.3
Liskamp, R.4
Lipton, M.5
Caufield, C.6
Chang, G.7
Hendrickson, T.8
Still, W.C.9
-
4
-
-
0024821263
-
Molecular Mechanics - The MM3 Force-Field for Hydrocarbons. 1
-
Allinger, N. L.; Yuh, Y. H.; Lii, J. H. Molecular Mechanics - The MM3 Force-Field for Hydrocarbons. 1. J. Am. Chem. Soc. 1989, 111, 8551-8566.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 8551-8566
-
-
Allinger, N.L.1
Yuh, Y.H.2
Lii, J.H.3
-
5
-
-
0021757436
-
A New Force-Field for Molecular Mechanical Simulation of Nucleic-Acids and Proteins
-
(a) Weiner, S. J.; Kollman, P. A.; Case, D. A.; Singh, U. C.; Ghio, C.; Alagona, G.; Profeta, S., Jr.; Weiner, P. A New Force-Field for Molecular Mechanical Simulation of Nucleic-Acids and Proteins. J. Am. Chem. Soc. 1984, 106, 765-784.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 765-784
-
-
Weiner, S.J.1
Kollman, P.A.2
Case, D.A.3
Singh, U.C.4
Ghio, C.5
Alagona, G.6
Profeta Jr., S.7
Weiner, P.8
-
6
-
-
84988053694
-
An All Atom Force-Field for Simulations of Proteins and Nucleic Acids
-
(b) Weiner, S. J.; Kollman, P. A.; Nguyen, D. T.; Case, D. A. An All Atom Force-Field for Simulations of Proteins and Nucleic Acids. J. Comput. Chem. 1986, 7, 230-252.
-
(1986)
J. Comput. Chem.
, vol.7
, pp. 230-252
-
-
Weiner, S.J.1
Kollman, P.A.2
Nguyen, D.T.3
Case, D.A.4
-
7
-
-
0344778061
-
Semi-analytical Treatment of Solvation for Molecular Mechanics and Dynamics
-
Still, W. C.; Tempczyk, A.; Hawley, R. C.; Hendrickson, T. Semi-analytical Treatment of Solvation for Molecular Mechanics and Dynamics J. Am. Chem. Soc. 1990, 112, 6127-6129.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 6127-6129
-
-
Still, W.C.1
Tempczyk, A.2
Hawley, R.C.3
Hendrickson, T.4
-
8
-
-
85033162670
-
-
Oxford Molecular Ltd.: Magdalen Centre, Oxford Science Park, Sandford-on-Thames, Oxford, OX4 4GA
-
Vamp V5.5; Oxford Molecular Ltd.: Magdalen Centre, Oxford Science Park, Sandford-on-Thames, Oxford, OX4 4GA.
-
Vamp V5.5
-
-
-
9
-
-
0025390935
-
MOPAC- A SemiEmpirical Molecular Orbital Program
-
MOPAC version 6.0. Stewart, J. J. P. MOPAC- a SemiEmpirical Molecular Orbital Program. J. Comput.-Aided Mol. Des. 1990, 4, 1-45.
-
(1990)
J. Comput.-Aided Mol. Des.
, vol.4
, pp. 1-45
-
-
Stewart, J.J.P.1
-
10
-
-
84988129057
-
Optimization of Parameters for SemiEmpirical Methods. 1. Method
-
Stewart, J. J. P. Optimization of Parameters for SemiEmpirical Methods. 1. Method. J. Comput. Chem. 1989, 10, 209-220.
-
(1989)
J. Comput. Chem.
, vol.10
, pp. 209-220
-
-
Stewart, J.J.P.1
-
11
-
-
0842341771
-
The Development and Use of Quantum-Mechanics Molecular-Models. 76. AM1-A New General-Purpose Quantum-Mechanical Molecular-Model
-
Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. The Development and Use of Quantum-Mechanics Molecular-Models. 76. AM1-A New General-Purpose Quantum-Mechanical Molecular-Model J. Am. Chem. Soc. 1985, 107, 3902-3909.
-
(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
-
12
-
-
84988073214
-
Optimization of Parameters for SemiEmpirical Methods. 2. Applications
-
Stewart, J. J. P. Optimization of Parameters for SemiEmpirical Methods. 2. Applications. J. Comput. Chem. 1989, 10, 221-264.
-
(1989)
J. Comput. Chem.
, vol.10
, pp. 221-264
-
-
Stewart, J.J.P.1
-
13
-
-
24444468650
-
Ground States of Molecules. 38. the MNDO Method. Approximations and Parameters
-
Dewar, M. J. S.; Thiel, W. Ground States of Molecules. 38. The MNDO Method. Approximations and Parameters. J. Am. Chem. Soc. 1977, 99, 4899-4907.
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 4899-4907
-
-
Dewar, M.J.S.1
Thiel, W.2
-
14
-
-
0027223591
-
SAM1. The First of a New Series of General Purpose Quantum Mechanical Molecular Models
-
Dewar, M. J. S.; Jie, C.; Yu, J. SAM1. The First of a New Series of General Purpose Quantum Mechanical Molecular Models. Tetrahedron 1993, 23, 5003-5038.
-
(1993)
Tetrahedron
, vol.23
, pp. 5003-5038
-
-
Dewar, M.J.S.1
Jie, C.2
Yu, J.3
|