Filtros de búsqueda

Lista de obras de

Conformational Free Energy Changes via an Alchemical Path without Reaction Coordinates

scientific article published on 24 July 2018

Epistasis and entrenchment of drug resistance in HIV-1 subtype B

scientific article published on 08 October 2019

HIV-1 integrase tetramers are the antiviral target of pyridine-based allosteric integrase inhibitors.

artículo científico publicado en 2019

Improving Prediction Accuracy of Binding Free Energies and Poses of HIV Integrase Complexes Using the Binding Energy Distribution Analysis Method with Flattening Potentials

artículo científico publicado en 2018

Ligand Binding Thermodynamic Cycles: Hysteresis, the Locally Weighted Histogram Analysis Method, and the Overlapping States Matrix

artículo científico publicado en 2019

Massive-Scale Binding Free Energy Simulations of HIV Integrase Complexes Using Asynchronous Replica Exchange Framework Implemented on the IBM WCG Distributed Network

article

Relationship between Solvation Thermodynamics from IST and DFT Perspectives.

artículo científico publicado en 2017

Solvation Thermodynamics from the Perspective of Endpoints DFT

scientific article published on 11 December 2020

Spatially-Decomposed Free Energy of Solvation Based on the Endpoint Density-Functional Method

artículo científico publicado en 2019

Stratified UWHAM and Its Stochastic Approximation for Multicanonical Simulations Which Are Far from Equilibrium.

artículo científico publicado en 2017

The Excess Chemical Potential of Water at the Interface with a Protein from End Point Simulations

scientific article published on 23 April 2018

The Role of Interfacial Water in Protein-Ligand Binding: Insights from the Indirect Solvent Mediated Potential of Mean Force.

artículo científico publicado en 2017

Dominio Público Uruguay está sostenido por:

Acerca de Dominio Público Uruguay

Ayuda