| Generalized gradient approximation for the exchange-correlation hole of a many-electron system | Physical Review B | 1996 | 4.6K |
| Rationale for mixing exact exchange with density functional approximations | Journal of Chemical Physics | 1996 | 3.9K |
| Bioisosterism: A Rational Approach in Drug Design | Chemical Reviews | 1996 | 921 |
| Fourier transform infrared spectroscopy of the solution-mediated conversion of amorphous calcium phosphate to hydroxyapatite: new correlations between X-ray diffraction and infrared data | Calcified Tissue International | 1996 | 256 |
| Why Do Cationic Carbon Monoxide Complexes Have High C−O Stretching Force Constants and Short C−O Bonds? Electrostatic Effects, Not σ-Bonding | Journal of the American Chemical Society | 1996 | 246 |
| Structural basis of RNA folding and recognition in an AMP-RNA aptamer complex | Nature | 1996 | 236 |
| Transcription activation at class II CAP-dependent promoters: two interactions between CAP and RNA polymerase | Cell | 1996 | 235 |
| Substituted 2,5'-Bi-1H-benzimidazoles: topoisomerase I inhibition and cytotoxicity | Journal of Medicinal Chemistry | 1996 | 221 |
| Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant | Journal of Molecular Biology | 1996 | 201 |
| New parameters for the refinement of nucleic acid-containing structures | Acta Crystallographica Section D: Biological Crystallography | 1996 | 196 |
| Crystallographic evidence for C alpha-H...O=C hydrogen bonds in a collagen triple helix | Journal of Molecular Biology | 1996 | 192 |
| Geometric Parameters in Nucleic Acids: Nitrogenous Bases | Journal of the American Chemical Society | 1996 | 174 |
| Influence of cisplatin intrastrand crosslinking on the conformation, thermal stability, and energetics of a 20-mer DNA duplex | Proceedings of the National Academy of Sciences of the United States of America | 1996 | 168 |
| On volume changes accompanying conformational transitions of biopolymers | Biopolymers | 1996 | 164 |
| The critical onset of counterion condensation: A survey of its experimental and theoretical basis | Zeitschrift Fur Elektrotechnik Und Elektrochemie | 1996 | 142 |
| Acoustic radiation force and streaming induced by focused nonlinear ultrasound in a dissipative medium | Journal of the Acoustical Society of America | 1996 | 112 |
| Simulating DNA at low resolution | Current Opinion in Structural Biology | 1996 | 111 |
| Thermodynamics of the Hydration Shell. 2. Excess Volume and Compressibility of a Hydrophobic Solute | The Journal of Physical Chemistry | 1996 | 98 |
| Protein-protein interactions in eukaryotic transcription initiation: structure of the preinitiation complex | Proceedings of the National Academy of Sciences of the United States of America | 1996 | 96 |
| Binding of a hairpin polyamide in the minor groove of DNA: sequence-specific enthalpic discrimination | Proceedings of the National Academy of Sciences of the United States of America | 1996 | 94 |
| Counterion condensation theory constructed from different models | Physica A: Statistical Mechanics and Its Applications | 1996 | 90 |
| Coralyne and related compounds as mammalian topoisomerase I and topoisomerase II poisons | Bioorganic and Medicinal Chemistry | 1996 | 89 |
| Structure-activity relationships of benzimidazoles and related heterocycles as topoisomerase I poisons | Bioorganic and Medicinal Chemistry | 1996 | 88 |
| The 1:1 glycine zwitterion-water complex: An ab initio electronic structure study | Journal of Computational Chemistry | 1996 | 87 |
| Canine bone response to tyrosine-derived polycarbonates and poly(L-lactic acid) | Journal of Biomedical Materials Research Part B | 1996 | 84 |
