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PAUL KOLLMAN, MD
MD
Internal Medicine Physician
NPI: 1780765511Individual
Specialties, Licenses & Credentials
Internal Medicine PhysicianPrimary
Internal Medicine
Code: 207R00000X
35208375(OH)
Research & Publications (20)
Chelate effect in cyclodextrin dimers: a computational (MD, MM/PBSA, and MM/GBSA) study.
PMID 16496993·J Org Chem·2006
8-other
The open nucleotide pocket of the profilin/actin x-ray structure is unstable and closes in the absence of profilin.
PMID 16428279·Biophys J·2006
7-preclinical
Automatic atom type and bond type perception in molecular mechanical calculations.
PMID 16458552·J Mol Graph Model·2006
8-other
Hierarchical database screenings for HIV-1 reverse transcriptase using a pharmacophore model, rigid docking, solvation docking, and MM-PB/SA.
PMID 15801834·J Med Chem·2005
8-other
Enhanced ab initio protein folding simulations in Poisson-Boltzmann molecular dynamics with self-guiding forces.
PMID 15099837·J Mol Graph Model·2004
8-other
Prediction of pKa shifts in proteins using a combination of molecular mechanical and continuum solvent calculations.
PMID 15376253·J Comput Chem·2004
8-other
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations.
PMID 14531054·J Comput Chem·2003
8-other
Investigation of neuraminidase-substrate recognition using molecular dynamics and free energy calculations.
PMID 14667217·J Med Chem·2003
8-other
The intramolecular mechanism for the second proton transfer in triosephosphate isomerase (TIM): a QM/FE approach.
PMID 12483674·J Comput Chem·2003
8-other
Free energy calculations for theophylline binding to an RNA aptamer: Comparison of MM-PBSA and thermodynamic integration methods.
PMID 12579577·Biopolymers·2003
8-other
Closing of the nucleotide pocket of kinesin-family motors upon binding to microtubules.
PMID 12730601·Science·2003
7-preclinical
Direct hydroxide attack is a plausible mechanism for amidase antibody 43C9.
PMID 12868101·J Comput Chem·2003
8-other
Computational alanine scanning of the 1:1 human growth hormone-receptor complex.
PMID 11913381·J Comput Chem·2002
8-other
Molecular dynamics simulation study of the negative correlation in antibody AZ28-catalyzed oxy-cope rearrangement.
PMID 12381197·J Am Chem Soc·2002
8-other
pKa, MM, and QM studies of mechanisms of beta-lactamases and penicillin-binding proteins: acylation step.
PMID 12395425·J Comput Chem·2002
8-other
Simulating proteins at constant pH: An approach combining molecular dynamics and Monte Carlo simulation.
PMID 12001225·Proteins·2002
7-preclinical
Conformational preferences of substituted prolines in the collagen triple helix.
PMID 11979516·Biopolymers·2002
8-other
Molecular dynamics and free energy analyses of cathepsin D-inhibitor interactions: insight into structure-based ligand design.
PMID 11906282·J Med Chem·2002
8-other
Data courtesy of the U.S. National Library of Medicine (NLM). Ltrl is not affiliated with or endorsed by NLM.
Contact & Hours
- Address
- 100 ARROW SPRINGS BLVD, SUITE 2800
LEBANON, OH 45036 - Phone
- (513) 282-7300
Quick Facts
- NPI
- 1780765511
- Entity Type
- Individual
- Gender
- Male
- Medicare
- Not confirmed
- Specialties
- 1
- Locations
- 1
- Publications
- 20
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