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Journal of Chemical Theory and Computation
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October 7, 2016
Conserved Mechanism of Conformational Stability and Dynamics in G-Protein-Coupled Receptors
Supriyo Bhattacharya, Romelia Salomon-Ferrer, Sangbae Lee, et al.
The Journal of Chemical Physics
|
February 1, 2016
Overcoming potential energy distortions in constrained internal coordinate molecular dynamics simulations
Saugat Kandel, Romelia Salomon-Ferrer, Adrien B Larsen, et al.
The Journal of Chemical Physics
|
May 5, 2007
Quantum Monte Carlo study of first-row atoms using transcorrelated variational Monte Carlo trial functions
Rajendra Prasad, Naoto Umezawa, Dominik Domin, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald
Romelia Salomon-Ferrer, Andreas W Götz, Duncan Poole, et al.
Journal of Computational Chemistry
|
June 19, 2016
Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST
Steven Ramsey, Crystal Nguyen, Romelia Salomon-Ferrer, et al.
Journal of Computational Chemistry
|
September 30, 2014
GneimoSim: a modular internal coordinates molecular dynamics simulation package
Adrien B Larsen, Jeffrey R Wagner, Saugat Kandel, et al.
Journal of Chemical Theory and Computation
|
September 18, 2012
Routine Access to Millisecond Time Scale Events with Accelerated Molecular Dynamics
Levi C T Pierce, Romelia Salomon-Ferrer, Cesar Augusto F de Oliveira, et al.
Journal of Chemical Theory and Computation
|
August 15, 2024
Machine Learning Guided AQFEP: A Fast and Efficient Absolute Free Energy Perturbation Solution for Virtual Screening
Jordan E Crivelli-Decker, Zane Beckwith, Gary Tom, et al.
ACS Medicinal Chemistry Letters
|
October 22, 2021
Intramolecular Ring-Opening Decomposition of Aryl Azetidines
Guoyun Bai, Thomas N O'Connell, Michael A Brodney, et al.
Bioorganic & Medicinal Chemistry Letters
|
December 4, 2015
Design and optimization of selective azaindole amide M1 positive allosteric modulators
Jennifer E Davoren, Steven V O'Neil, Dennis P Anderson, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
October 7, 2016
Conserved Mechanism of Conformational Stability and Dynamics in G-Protein-Coupled Receptors
Supriyo Bhattacharya, Romelia Salomon-Ferrer, Sangbae Lee, et al.
The Journal of Chemical Physics
|
February 1, 2016
Overcoming potential energy distortions in constrained internal coordinate molecular dynamics simulations
Saugat Kandel, Romelia Salomon-Ferrer, Adrien B Larsen, et al.
The Journal of Chemical Physics
|
May 5, 2007
Quantum Monte Carlo study of first-row atoms using transcorrelated variational Monte Carlo trial functions
Rajendra Prasad, Naoto Umezawa, Dominik Domin, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald
Romelia Salomon-Ferrer, Andreas W Götz, Duncan Poole, et al.
Journal of Computational Chemistry
|
June 19, 2016
Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST
Steven Ramsey, Crystal Nguyen, Romelia Salomon-Ferrer, et al.
Journal of Computational Chemistry
|
September 30, 2014
GneimoSim: a modular internal coordinates molecular dynamics simulation package
Adrien B Larsen, Jeffrey R Wagner, Saugat Kandel, et al.
Journal of Chemical Theory and Computation
|
September 18, 2012
Routine Access to Millisecond Time Scale Events with Accelerated Molecular Dynamics
Levi C T Pierce, Romelia Salomon-Ferrer, Cesar Augusto F de Oliveira, et al.
Journal of Chemical Theory and Computation
|
August 15, 2024
Machine Learning Guided AQFEP: A Fast and Efficient Absolute Free Energy Perturbation Solution for Virtual Screening
Jordan E Crivelli-Decker, Zane Beckwith, Gary Tom, et al.
ACS Medicinal Chemistry Letters
|
October 22, 2021
Intramolecular Ring-Opening Decomposition of Aryl Azetidines
Guoyun Bai, Thomas N O'Connell, Michael A Brodney, et al.
Bioorganic & Medicinal Chemistry Letters
|
December 4, 2015
Design and optimization of selective azaindole amide M1 positive allosteric modulators
Jennifer E Davoren, Steven V O'Neil, Dennis P Anderson, et al.
Page
of 2