Niladri Patra

According to our database, Niladri Patra authored at least 7 papers between 2011 and 2026.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2026

A Hybrid OPES-eABF Framework for Efficient Exploration and Data-Driven Collective Variable Discovery in Complex Free-Energy Landscapes.

Gourav Chakraborty, Niladri Patra

J. Chem. Inf. Model., 2026

2025

Mapping Conformational and Kinetic Landscapes of 14-3-3σ/α-Synuclein Assembly via Variational Autoencoders and Markov State Models.

Gourav Chakraborty, Niladri Patra

J. Chem. Inf. Model., 2025

A Catalytic Perspective on Erythromycin Hydrolysis by Erythromycin Esterase C: Combined CpHMD and QM/MM Metadynamics Study.

Abhishek Bera, Niladri Patra

J. Chem. Inf. Model., 2025

2024

Insights into Allosteric Inhibition of the AcrB Efflux Pump: Role of Distinct Binding Pockets, Protomer Preferences, and Crosstalk Disruption.

Rakesh Kumar Roy, Abhishek Bera, Niladri Patra

J. Chem. Inf. Model., 2024

Delving into Macrolide Binding Affinities and Associated Structural Modulations in Erythromycin Esterase C: Insights into the Venus Flytrap Mechanism.

Abhishek Bera, Pritish Joshi, Niladri Patra

J. Chem. Inf. Model., 2024

2023

Telescoping-Solvation-Box Protocol-Based Umbrella Sampling Method for Potential Mean Force Estimation.

Diship Srivastava, Niladri Patra

J. Chem. Inf. Model., October, 2023

2011

A fast empirical GAFF compatible partial atomic charge assignment scheme for modeling interactions of small molecules with biomolecular targets.

Goutam Mukherjee, Niladri Patra, Poranjyoti Barua, Bhyravabhotla Jayaram

J. Comput. Chem., 2011