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September 12, 2023
A quantum chemical interaction energy dataset for accurately modeling protein-ligand interactions
Steven A Spronk, Zachary L Glick, Derek P Metcalf, et al.
The Analyst
|
October 22, 2008
Desorption electrospray ionization reactions between host crown ethers and the influenza neuraminidase inhibitor oseltamivir for the rapid screening of Tamiflu
Leonard Nyadong, Edward G Hohenstein, Kristin Johnson, et al.
The Journal of Chemical Physics
|
May 17, 2014
Communication: Acceleration of coupled cluster singles and doubles via orbital-weighted least-squares tensor hypercontraction
Robert M Parrish, C David Sherrill, Edward G Hohenstein, et al.
The Journal of Chemical Physics
|
August 22, 2024
Accurate and efficient open-source implementation of domain-based local pair natural orbital (DLPNO) coupled-cluster theory using a t1-transformed Hamiltonian
Andy Jiang, Zachary L Glick, David Poole, et al.
Journal of Chemical Information and Modeling
|
March 12, 2024
Directional Δ<i>G</i> Neural Network (DrΔ<i>G</i>-Net): A Modular Neural Network Approach to Binding Free Energy Prediction
Derek P Metcalf, Zachary L Glick, Andrea Bortolato, et al.
The Journal of Chemical Physics
|
July 9, 2021
CLIFF: A component-based, machine-learned, intermolecular force field
Jeffrey B Schriber, Daniel R Nascimento, Alexios Koutsoukas, et al.
The Journal of Chemical Physics
|
August 6, 2020
AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials
Zachary L Glick, Derek P Metcalf, Alexios Koutsoukas, et al.
The Journal of Chemical Physics
|
April 5, 2014
Communication: resolving the three-body contribution to the lattice energy of crystalline benzene: benchmark results from coupled-cluster theory
Matthew R Kennedy, Ashley Ringer McDonald, A Eugene DePrince, et al.
Journal of the American Chemical Society
|
August 21, 2012
Do deuteriums form stronger CH-π interactions?
Chen Zhao, Robert M Parrish, Mark D Smith, et al.
The Journal of Physical Chemistry Letters
|
May 30, 2019
Intramolecular Noncovalent Interactions Facilitate Thermally Activated Delayed Fluorescence (TADF)
Xian-Kai Chen, Brandon W Bakr, Morgan Auffray, et al.
Page
of 16
Search research articles
Search
Showing results (121-130 of 160) with videos related to
Sort By:
Page
of 16
Scientific Data
|
September 12, 2023
A quantum chemical interaction energy dataset for accurately modeling protein-ligand interactions
Steven A Spronk, Zachary L Glick, Derek P Metcalf, et al.
The Analyst
|
October 22, 2008
Desorption electrospray ionization reactions between host crown ethers and the influenza neuraminidase inhibitor oseltamivir for the rapid screening of Tamiflu
Leonard Nyadong, Edward G Hohenstein, Kristin Johnson, et al.
The Journal of Chemical Physics
|
May 17, 2014
Communication: Acceleration of coupled cluster singles and doubles via orbital-weighted least-squares tensor hypercontraction
Robert M Parrish, C David Sherrill, Edward G Hohenstein, et al.
The Journal of Chemical Physics
|
August 22, 2024
Accurate and efficient open-source implementation of domain-based local pair natural orbital (DLPNO) coupled-cluster theory using a t1-transformed Hamiltonian
Andy Jiang, Zachary L Glick, David Poole, et al.
Journal of Chemical Information and Modeling
|
March 12, 2024
Directional Δ<i>G</i> Neural Network (DrΔ<i>G</i>-Net): A Modular Neural Network Approach to Binding Free Energy Prediction
Derek P Metcalf, Zachary L Glick, Andrea Bortolato, et al.
The Journal of Chemical Physics
|
July 9, 2021
CLIFF: A component-based, machine-learned, intermolecular force field
Jeffrey B Schriber, Daniel R Nascimento, Alexios Koutsoukas, et al.
The Journal of Chemical Physics
|
August 6, 2020
AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials
Zachary L Glick, Derek P Metcalf, Alexios Koutsoukas, et al.
The Journal of Chemical Physics
|
April 5, 2014
Communication: resolving the three-body contribution to the lattice energy of crystalline benzene: benchmark results from coupled-cluster theory
Matthew R Kennedy, Ashley Ringer McDonald, A Eugene DePrince, et al.
Journal of the American Chemical Society
|
August 21, 2012
Do deuteriums form stronger CH-π interactions?
Chen Zhao, Robert M Parrish, Mark D Smith, et al.
The Journal of Physical Chemistry Letters
|
May 30, 2019
Intramolecular Noncovalent Interactions Facilitate Thermally Activated Delayed Fluorescence (TADF)
Xian-Kai Chen, Brandon W Bakr, Morgan Auffray, et al.
Page
of 16