DOCSLIB.ORG
Explore
Sign Up
Log In
Upload
Search
Home
» Tags
» Force field (chemistry)
Force field (chemistry)
Development of an Advanced Force Field for Water Using Variational Energy Decomposition Analysis Arxiv:1905.07816V3 [Physics.Ch
FORCE FIELDS for PROTEIN SIMULATIONS by JAY W. PONDER
Force Fields for MD Simulations
FORCE FIELDS and CRYSTAL STRUCTURE PREDICTION Contents
Dynamics of Ions in a Water Drop Using the AMOEBA Polarizable Force Field Florian Thaunay, Gilles Ohanessian, Carine Clavaguera
Electronic Supplementary Information CHARMM All Atom Force Field
Computation of Free Energy
Behavior of Gas Reveals the Existence of Antigravity Gaseous Nature More Precisely Described by Gravity-Antigravity Forces
Molmod: an Open Access Database of Force Fields for Molecular
Developing Protonated and Deprotonated Cysteine Side-Chain Parameters for POSSIM Force Field
Trypsin-Ligand Binding Affinities Calculated Using an Effective
1 Force Fields
8 Potential Functions 70
Force Field Development Phase II: Relaxation of Physics-Based Criteria… Or Inclusion of More Rigorous Physics Into the Representation of Molecular Energetics
Thomas W. Shattuck Department of Chemistry Colby College Waterville, Maine 04901 2
Lecture 14: Applications in Statistical Mechanics
Towards Exact Molecular Dynamics Simulations with Machine-Learned Force fields
Evaluation and Optimisation of Interface Force Fields for Water on Gold Surfaces
Top View
Transferable Force Field for Adsorption of Small Gases in Zeolites
A Force Field for Water Over Pt(111): Development, Assessment and Comparison
A New Microscopic Look Into Pressure Fields and Local Buoyancy
Parameterization of OPLS–AA Force Field for the Conformational
Arxiv:2004.01630V4 [Physics.Comp-Ph] 29 May 2020
Central Force Problems
Force Fields and Molecular Dynamics Simulations
Statistical Field Theory for Polar Fluids Bilin Zhuang, and Zhen-Gang Wang
Molecular Dynamics Simulation for Evaluating Fracture Entropy of a Polymer Material Under Various Combined Stress States
Part I Lecture 8 Reactive Potentials and Applications
Developing a Molecular Dynamics Force Field for Both Folded and Disordered Protein States
Nonlinear Fokker-Planck Equation for an Overdamped System with Drag Depending on Direction
Cond-Mat/0610606 23 Oct 2006
Determination of Forces from a Potential in Molecular Dynamics (Note)
Frontiers of Computational Polymer Field Theory Glenn H
Molecular Dynamics Simulations of Pure Polytetrafluoroethylene Near Glassy Transition Temperature for Different Molecular Weights
Molecular Mechanics - Force Field Method
Simulation of Inorganic Materials
A Guide to Statistical Physics Issues in Molecular Simulations J.-L
Force Fields and Molecular Modelling
Field Theory in Practice
The Quantum Field Theory on Which the Everyday World Supervenes
Molecular Dynamics Simulation
Factorization for Non-Symmetric Operators and Exponential H-Theorem
Methodology of Parameterization of Molecular Mechanics Force Field from Quantum Chemistry Calculations Using Guided Genetic Algorithm: a Case Study of Methanol
A Force Field and a Surface Model Database for Silica to Simulate Interfacial
A Force Field for a Manganese-Vanadium Water Oxidation Catalyst: Redox Potentials in Solution As Showcase
PDF (Force Field Parameters for Molecular
Chapter 7. Statistical Mechanics
Introduction to Molecular Mechanics C. David Sherrill School of Chemistry
4.2 the Boltzmann Equation and H-Theorem (1872) 43
Potential Energy Surface and Molecular Dynamics Simulations
Force Fields for Protein Simulations
Classical Semi-Empirical Force Fields Che210d the Classical Picture
Chemical Physics
Effect of the Water Model in Simulations of Protein–Protein Recognition and Association
Polarizable Force Fields for Biomolecular Simulations
Polarisable Force Fields: What Do They Add in Biomolecular Simulations?