(Q37426275)

20 August 2017

Perspective on Free-Energy Perturbation Calculations for Chemical Equilibria (English)

1 reference

20 August 2017

1

William L Jorgensen

1 reference

20 August 2017

Laura L Thomas

2

1 reference

20 August 2017

1 May 2008

1 reference

Journal of Chemical Theory and Computation

20 August 2017

1 reference

20 August 2017

4

1 reference

20 August 2017

6

1 reference

20 August 2017

869-876

1 reference

Recollections of My Life. Santiago Ramon Y Cajal. MIT Press, Cambridge, MA, 1989. xxvi, 638 pp., illus. Paper, $16.95. Translated from the third Spanish edition (1923). Reprint, 1937 edition; The Never-Ceasing Search. Francis O. Schmitt. American Ph

20 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2779535

Molecular modeling of organic and biomolecular systems using BOSS and MCPRO.

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2779535

Potential energy functions for atomic-level simulations of water and organic and biomolecular systems

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2779535

Proton binding to proteins: pK(a) calculations with explicit and implicit solvent models.

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2779535

Detailed considerations for a balanced and broadly applicable force field: a study of substituted benzenes modeled with OPLS-AA.

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2779535

Accuracy of free energies of hydration using CM1 and CM3 atomic charges

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2779535

Improving the efficiency and reliability of free energy perturbation calculations using overlap sampling methods

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2779535

Intrinsic pKas of ionizable residues in proteins: an explicit solvent calculation for lysozyme

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2779535

Optimization of pyrimidinyl- and triazinyl-amines as non-nucleoside inhibitors of HIV-1 reverse transcriptase

2 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19936324

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Computer-aided design of non-nucleoside inhibitors of HIV-1 reverse transcriptase

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19936324

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/CT800011M

1 reference

20 August 2017

1 reference

PMC publication ID

2779535

20 August 2017

PubMed publication ID

19936324

1 reference

PMC publication ID

2779535