| scholarly article | Q13442814 |
| P356 | DOI | 10.1007/S00894-010-0728-2 |
| P2888 | exact match | https://scigraph.springernature.com/pub.10.1007/s00894-010-0728-2 |
| P698 | PubMed publication ID | 20480380 |
| P50 | author | Yoshiaki Tanida | Q73477219 |
| P2093 | author name string | Masaya Orita | |
| Kazuki Ohno | |||
| Takashi Mitsui | |||
| Hideaki Fujitani | |||
| Tatsuya Niimi | |||
| Azuma Matsuura | |||
| P2860 | cites work | Nonequilibrium Equality for Free Energy Differences | Q21698763 |
| Canonical dynamics: Equilibrium phase-space distributions | Q21709091 | ||
| Comparison of simple potential functions for simulating liquid water | Q26778447 | ||
| Inhibitor-induced structural change of the active site of human poly(ADP-ribose) polymerase | Q27642912 | ||
| GROMACS: fast, flexible, and free | Q27860998 | ||
| Development and testing of a general amber force field | Q29547642 | ||
| Automatic atom type and bond type perception in molecular mechanical calculations | Q29616744 | ||
| A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design | Q31145317 | ||
| 4-[3-(4-cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorobenzyl]-2H-phthalazin-1-one: a novel bioavailable inhibitor of poly(ADP-ribose) polymerase-1. | Q34013829 | ||
| Role of the active-site solvent in the thermodynamics of factor Xa ligand binding | Q34748976 | ||
| Poly(ADP-ribose) polymerase inhibitors | Q35060963 | ||
| Pharmacological Modulation of Poly(ADP-ribose) Polymerase-Mediated Cell Death: Exploitation in Cancer Chemotherapy | Q35565981 | ||
| Poly(ADP-ribose) polymerase activation mediates 1-methyl-4-phenyl-1, 2,3,6-tetrahydropyridine (MPTP)-induced parkinsonism | Q36369850 | ||
| Methods for calculating the entropy and free energy and their application to problems involving protein flexibility and ligand binding | Q37276103 | ||
| Free energy via molecular simulation: applications to chemical and biomolecular systems | Q38648060 | ||
| Protein-ligand binding free energy calculation by the Smooth Reaction Path Generation (SRPG) Method | Q43266434 | ||
| Rational approaches to discovery of orally active and brain-penetrable quinazolinone inhibitors of poly(ADP-ribose)polymerase | Q45007061 | ||
| Evaluating the Accuracy of the Quasiharmonic Approximation | Q46144156 | ||
| Massively parallel computation of absolute binding free energy with well-equilibrated states | Q47948501 | ||
| Pharmacologic inhibition of poly(ADP-ribose) polymerase is neuroprotective following traumatic brain injury in rats. | Q48890892 | ||
| GROMACS: A message-passing parallel molecular dynamics implementation | Q51756282 | ||
| General atomic and molecular electronic structure system | Q56017006 | ||
| GROMACS 3.0: a package for molecular simulation and trajectory analysis | Q57082068 | ||
| Molecular dynamics with coupling to an external bath | Q57569060 | ||
| Equilibrium Free Energies from Nonequilibrium Measurements Using Maximum-Likelihood Methods | Q79283802 | ||
| Accurate prediction of the relative potencies of members of a series of kinase inhibitors using molecular docking and MM-GBSA scoring | Q80048492 | ||
| High-Level ab Initio Calculations To Improve Protein Backbone Dihedral Parameters | Q86812363 | ||
| P433 | issue | 2 | |
| P304 | page(s) | 383-389 | |
| P577 | publication date | 2010-05-18 | |
| P1433 | published in | Journal of Molecular Modeling | Q1709860 |
| P1476 | title | Docking study and binding free energy calculation of poly (ADP-ribose) polymerase inhibitors | |
| P478 | volume | 17 |
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