Results 261 to 270 of about 746,739 (376)

Simulating the non-Hermitian dynamics of financial option pricing with quantum computers. [PDF]

Sci Rep
Kumar S, Wilmott CM.
europepmc   +1 more source

The powers of a connected graph are highly hamiltonian

, 1971
Vasanti N. Bhat, Sanjiv Kapoor
openalex   +1 more source

Thermodynamic Behavior of a Model Hamiltonian for a Mixture of He3and He4 [PDF]

, 1970
Toshio Soda, K. Sawada, Tsuneo Nagata
openalex   +1 more source

Beyond Docking: A Multitier Computational Pipeline for USP7 Inhibitor Optimization

ChemMedChem, EarlyView.
A multitier computational strategy discovers potential USP7 inhibitors using similarity‐based virtual screening, physics‐driven molecular simulations, binding free energy estimations, binary QSAR modeling, and steered molecular dynamics analysis. This integrated approach prioritizes and optimizes lead compounds with strong predicted affinity, offering ...
Ehsan Sayyah, Muhammet Eren Ulug, Serdar Durdağı   +2 more
wiley   +1 more source

Efficient Multistate Free-Energy Calculations with QM/MM Accuracy Using Replica-Exchange Enveloping Distribution Sampling. [PDF]

J Phys Chem B
Pregeljc D, Hügli RJR, Riniker S.
europepmc   +1 more source

Relative Hamiltonian for Faithful Normal States of a von Neumann Algebra

, 1973
Huzihiro Araki
openalex   +2 more sources

Hamiltonian systems in a neighborhood of a saddle point [PDF]

, 1978
Viorel Barbu
openalex   +1 more source

On Hamiltonian polygons

Journal of Combinatorial Theory, Series B, 1976
openaire   +2 more sources

Exploring Bonding in Bioinorganic Chemistry: Ab Initio Valence Bond Calculations of Iron(II)‐CO and Iron(IV)‐Oxo Units in Cytochrome P450 under Oriented External Electric Fields

Chemistry–Methods, EarlyView.
Ab initio valence bond calculations under oriented electric fields along the bond axis of Fe(II)‐CO and Fe(IV)‐oxo units in cytochrome P450 enzymes highlight their effectiveness in probing complex bonding characteristics and ligand effects in bioinorganic systems.
Enhua Zhang, Hajime Hirao
wiley   +1 more source

Analyzing Riemann-Liouville constraints in second-order Lagrangian fractional electrodynamic models. [PDF]

PLoS One
Alawaideh YM, Al-Khamiseh BM, Adu IK.
europepmc   +1 more source