검색결과 : 4건
| No. | Article |
|---|---|
| 1 |
Biomolecular Simulations under Realistic Macroscopic Salt Conditions Ross GA, Rustenburg AS, Grinaway PB, Fass J, Chodera JD Journal of Physical Chemistry B, 122(21), 5466, 2018 |
| 2 |
Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte Carlo Gill SC, Lim NM, Grinaway PB, Rustenburg AS, Fass J, Ross GA, Chodera JD, Mobley DL Journal of Physical Chemistry B, 122(21), 5579, 2018 |
| 3 |
Acquired resistance to IDH inhibition through trans or cis dimer-interface mutations Intlekofer AM, Shih AH, Wang B, Nazir A, Rustenburg AS, Albanese SK, Patel M, Famulare C, Correa FM, Takemoto N, Durani V, Liu H, Taylor J, Farnoud N, Papaemmanuil E, Cross JR, Tallman MS, Arcila ME, Roshal M, Petsko GA, Wu B, Choe S, Konteatis ZD, Biller SA, Chodera JD, Thompson CB, Levine RL, Stein EM Nature, 559(7712), 125, 2018 |
| 4 |
Toward Automated Benchmarking of Atomistic Force Fields: Neat Liquid Densities and Static Dielectric Constants from the ThermoML Data Archive Beauchamp KA, Behr JM, Rustenburg AS, Bayly CI, Kroenlein K, Chodera JD Journal of Physical Chemistry B, 119(40), 12912, 2015 |