| scholarly article | Q13442814 |
| P356 | DOI | 10.1002/(SICI)1097-0134(19991201)37:4<641::AID-PROT14>3.0.CO;2-W |
| P698 | PubMed publication ID | 10651279 |
| P2093 | author name string | A T Brunger | |
| N Ota | |||
| S A Shah | |||
| M Mares-Guia | |||
| C Stroupe | |||
| J M Ferreira-da-Silva | |||
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| Electronic effects in the interaction of para-substituted benzamidines with trypsin: the involvement of the pi-electronic density at the central atom of the substituent in binding | Q44275374 | ||
| The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin | Q47682341 | ||
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| P433 | issue | 4 | |
| P407 | language of work or name | English | Q1860 |
| P921 | main subject | macromolecule | Q178593 |
| P304 | page(s) | 641-53 | |
| P577 | publication date | 1999-12-01 | |
| P1433 | published in | Proteins | Q7251514 |
| P1476 | title | Non-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamine | |
| P478 | volume | 37 |
| Q43887767 | Agmatine oxidation by copper amine oxidase |
| Q36802557 | Application of a polarizable force field to calculations of relative protein-ligand binding affinities |
| Q41965796 | Conformational variability of benzamidinium-based inhibitors |
| Q34457491 | Natural and synthetic inhibitors of kallikrein-related peptidases (KLKs). |
| Q84743382 | Quantifying protein-ligand binding constants using electrospray ionization mass spectrometry: a systematic binding affinity study of a series of hydrophobically modified trypsin inhibitors |
| Q30278887 | Structure of BbKI, a disulfide-free plasma kallikrein inhibitor |
| Q30605285 | Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity. |
| Q48031360 | Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs. |
| Q37364377 | Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential |
| Q33642484 | Trypsin-ligand binding free energy calculation with AMOEBA. |
| Q34975702 | Virtual screening using molecular simulations |
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