| Year |
Citation |
Score |
| 2010 |
Sheridan RP, Maiorov VN, Holloway MK, Cornell WD, Gao YD. Drug-like density: a method of quantifying the "bindability" of a protein target based on a very large set of pockets and drug-like ligands from the Protein Data Bank. Journal of Chemical Information and Modeling. 50: 2029-40. PMID 20977231 DOI: 10.1021/Ci100312T |
0.32 |
|
| 2006 |
Cornell WD. Chapter 16 Recent Evaluations of High Throughput Docking Methods for Pharmaceutical Lead Finding – Consensus and Caveats Annual Reports in Computational Chemistry. 2: 297-323. DOI: 10.1016/S1574-1400(06)02016-0 |
0.31 |
|
| 2003 |
Nam K, Marshall P, Wolf RM, Cornell W. Simulation of the different biological activities of diethylstilbestrol (DES) on estrogen receptor alpha and estrogen-related receptor gamma. Biopolymers. 68: 130-8. PMID 12579585 DOI: 10.1002/Bip.10307 |
0.301 |
|
| 2001 |
Cornell W, Abseher R, Nilges M, Case DA. Continuum solvent molecular dynamics study of flexibility in interleukin-8 Journal of Molecular Graphics and Modelling. 19: 136-145. PMID 11381524 DOI: 10.1016/S1093-3263(00)00124-8 |
0.327 |
|
| 1997 |
Cornell WD, Gould IR, Kollman PA. The effects of basis set and blocking groups on the conformational energies of glycyl and alanyl dipeptides A Hartree-Fock and MP2 study Journal of Molecular Structure: Theochem. 392: 101-109. DOI: 10.1016/S0166-1280(97)90383-3 |
0.491 |
|
| 1996 |
Cornell WD, Cieplak P, Bayly CI, Gould IR, Merz KM, Ferguson DM, Spellmeyer DC, Fox T, Caldwell JW, Kollman PA. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic MoleculesJ.Am.Chem.Soc.1995,117, 5179−5197 Journal of the American Chemical Society. 118: 2309-2309. DOI: 10.1021/Ja955032E |
0.457 |
|
| 1996 |
Cornell WD, Ha MP, Sun Y, Kollman PA. Application of a simple diagonal force Field to the simulation of cyclopentane conformational dynamics Journal of Computational Chemistry. 17: 1541-1548. DOI: 10.1002/(Sici)1096-987X(199610)17:13<1541::Aid-Jcc5>3.0.Co;2-S |
0.502 |
|
| 1995 |
Cornell WD, Cieplak P, Bayly CI, Gould IR, Merz KM, Ferguson DM, Spellmeyer DC, Fox T, Caldwell JW, Kollman PA. A second generation force field for the simulation of proteins, nucleic acids, and organic molecules Journal of the American Chemical Society. 117: 5179-5197. DOI: 10.1021/Ja00124A002 |
0.541 |
|
| 1995 |
-Amant AS, Cornell WD, Kollman PA, Halgren TA. Calculation of molecular geometries, relative conformational energies, dipole moments, and molecular electrostatic potential fitted charges of small organic molecules of biochemical interest by density functional theory Journal of Computational Chemistry. 16: 1483-1506. DOI: 10.1002/Jcc.540161206 |
0.493 |
|
| 1995 |
Cieplak P, Cornell WD, Bayly CI, Kollman PA. Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins Journal of Computational Chemistry. 16: 1357-1377. DOI: 10.1002/Jcc.540161106 |
0.427 |
|
| 1993 |
Cornell WD, Cieplak P, Bayly CI, Kollman PA. Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation Journal of the American Chemical Society. 115: 9620-9631. DOI: 10.1021/Ja00074A030 |
0.501 |
|
| 1993 |
Bayly CI, Cieplak P, Cornell WD, Kollman PA. A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: The RESP model Journal of Physical Chemistry. 97: 10269-10280. DOI: 10.1021/J100142A004 |
0.486 |
|
| 1991 |
Cornell WD, Howard AE, Kollman P. Molecular mechanical potential functions and their application to study molecular systems: Current Opinion in Structural Biology 1991, 1:201–212 Current Opinion in Structural Biology. 1: 201-212. DOI: 10.1016/0959-440X(91)90062-X |
0.472 |
|
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