Related references
Note: Only part of the references are listed.Amyloid-β (Aβ42) Peptide Aggregation Rate and Mechanism on Surfaces with Widely Varied Properties: Insights from Brownian Dynamics Simulations
Timothy Cholko et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2020)
Co-localization and confinement of ecto-nucleotidases modulate extracellular adenosine nucleotide distributions
Hadi Rahmaninejad et al.
PLOS COMPUTATIONAL BIOLOGY (2020)
Coverage Fluctuations and Correlations in Nanoparticle-Catalyzed Diffusion-Influenced Bimolecular Reactions
Yi-Chen Lin et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2020)
Phenanthridine derivatives as potential HIV-1 protease inhibitors
Pavel V. Ershov et al.
BIOMEDICAL REPORTS (2020)
Kinetics of Drug Binding and Residence Time
Mattia Bernetti et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 70 (2019)
Brownian Dynamics Simulations of Biological Molecules
Gary A. Huber et al.
TRENDS IN CHEMISTRY (2019)
Dynamics and molecular interactions of single-stranded DNA in nucleic acid biosensors with varied surface properties
Timothy Cholko et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)
Numerical and Experimental Study on a Microflluidic Concentration Gradient Generator for Arbitrary Approximate Linear and Quadratic Concentration Curve Output
Xueye Chen et al.
INTERNATIONAL JOURNAL OF CHEMICAL REACTOR ENGINEERING (2018)
Continuous flow biocatalysis
Joshua Britton et al.
CHEMICAL SOCIETY REVIEWS (2018)
Maximizing the absorption of small cosolutes inside neutral hydrogels: steric exclusion versus hydrophobic adhesion
Luis Perez-Mas et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)
Surface Plasmon Resonance Optical Sensor: A Review on Light Source Technology
Briliant Adhi Prabowo et al.
BIOSENSORS-BASEL (2018)
Surface Plasmon Resonance: Material and Interface Design for Universal Accessibility
Samuel S. Hinman et al.
ANALYTICAL CHEMISTRY (2018)
Smoldyn: particle-based simulation with rule-based modeling, improved molecular interaction and a library interface
Steven S. Andrews
BIOINFORMATICS (2017)
Continuous flow biocatalysis: production and in-line purification of amines by immobilised transaminase from Halomonas elongata
Matteo Planchestainer et al.
GREEN CHEMISTRY (2017)
Quantifying enzyme activity in living cells
Agnes Zotter et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2017)
SEEKR: Simulation Enabled Estimation of Kinetic Rates, A Computational Tool to Estimate Molecular Kinetics and Its Application to Trypsin-Benzamidine Binding
Lane W. Votapka et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2017)
Catalyzed Bimolecular Reactions in Responsive Nanoreactors
Rafael Roa et al.
ACS CATALYSIS (2017)
Mechanism of the Association Pathways for a Pair of Fast and Slow Binding Ligands of HIV-1 Protease
Yu-ming M. Huang et al.
BIOCHEMISTRY (2017)
Recent Progress in the Development of HIV-1 Protease Inhibitors for the Treatment of HIV/AIDS
Arun K. Ghosh et al.
JOURNAL OF MEDICINAL CHEMISTRY (2016)
Analysis of Ligand-Receptor Association and Intermediate Transfer Rates in Multienzyme Nanostructures with All-Atom Brownian Dynamics Simulations
Christopher C. Roberts et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2016)
SDA 7: A modular and parallel implementation of the simulation of diffusional association software
Michael Martinez et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2015)
Matrix-free Brownian dynamics simulation technique for semidilute polymeric solutions
Amir Saadat et al.
PHYSICAL REVIEW E (2015)
Modeling of Enhanced Catalysis in Multienzyme Nanostructures: Effect of Molecular Scaffolds, Spatial Organization, and Concentration
Christopher C. Roberts et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
BROMOC Suite: Monte Carlo/Brownian Dynamics Suite for Studies of Ion Permeation and DNA transport in Biological and Artificial Pores with Effective Potentials
Pablo M. De Biase et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2015)
The Role of Select Subtype Polymorphisms on HIV-1 Protease Conformational Sampling and Dynamics
Xi Huang et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2014)
Molecular Recognition and Ligand Association
Riccardo Baron et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 64 (2013)
ReaDDy - A Software for Particle-Based Reaction-Diffusion Dynamics in Crowded Cellular Environments
Johannes Schoeneberg et al.
PLOS ONE (2013)
Identifying the Molecular Mechanics and Binding Dynamics Characteristics of Potent Inhibitors to HIV-1 Protease
Dechang Li et al.
CHEMICAL BIOLOGY & DRUG DESIGN (2012)
Gating and Intermolecular Interactions in Ligand-Protein Association: Coarse-Grained Modeling of HIV-1 Protease
Myungshim Kang et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Software News and Updates Brownian Dynamics Simulations on CPU and GPU with BD_BOX
Maciej Dlugosz et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Browndye: A software package for Brownian dynamics
Gary A. Huber et al.
COMPUTER PHYSICS COMMUNICATIONS (2010)
Effects of flow rate on sensitivity and affinity in flow injection biosensor systems studied by 55-MHz wireless quartz crystal microbalance
Hirotsugu Ogi et al.
ANALYTICAL CHEMISTRY (2008)
Gated binding of ligands to HIV-1 protease: Brownian dynamics simulations in a coarse-grained model
Chia-En Chang et al.
BIOPHYSICAL JOURNAL (2006)
A coarse grained model for the dynamics of flap opening in HIV-1 protease
V Tozzini et al.
CHEMICAL PHYSICS LETTERS (2005)
A solution NMR study of the binding kinetics and the internal dynamics of an HIV-1 protease-substrate complex
E Katoh et al.
PROTEIN SCIENCE (2003)
Relationships between structure and interaction kinetics for HIV-1 protease inhibitors
PO Markgren et al.
JOURNAL OF MEDICINAL CHEMISTRY (2002)
Share Paper
